naftiko: 1.0.0-alpha2 info: label: Materials Project API description: 'The Materials Project API allows anyone to have direct access to current, up-to-date information from the Materials Project database in a structured way. This allows for analysis, development of automated tools, machine learning, downloading personal copies of the Materials Project database and more on a large scale. The API is offered with the hopes of making Materials Project data more useful to you. We want you to use our data! As such, the API is offered free-of-charge and we support several tools to help you get started. ## API Key To make any request to the Materials Project API, you mus' tags: - Materials - Project - API created: '2026-05-06' modified: '2026-05-06' capability: consumes: - type: http namespace: materials-project baseUri: https://api.example.com description: Materials Project API HTTP API. authentication: type: apikey in: header name: X-API-KEY value: '{{MATERIALS_PROJECT_TOKEN}}' resources: - name: doi path: /doi/ operations: - name: search-doi-get method: GET description: Get DOIDoc documents inputParameters: - name: material_ids in: query type: string description: Comma-separated list of material_id values to query on - name: _page in: query type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page in: query type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip in: query type: integer description: Number of entries to skip in the search. - name: _limit in: query type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: _fields in: query type: string description: 'Fields to project from DOIDoc as a list of comma separated strings. Fields include: `doi` `bibtex` `material_id`' - name: _all_fields in: query type: boolean description: Include all fields. outputRawFormat: json outputParameters: - name: result type: object value: $. - name: materials-core-blessed-tasks path: /materials/core/blessed_tasks/ operations: - name: search-materials-core-blessed-tasks-get method: GET description: Get MaterialsDoc documents inputParameters: - name: run_type in: query type: string required: true description: Calculation run type of blessed task data - name: energy_min in: query type: string description: Minimum total uncorrected DFT energy in eV/atom - name: energy_max in: query type: string description: Maximum total uncorrected DFT energy in eV/atom - name: material_ids in: query type: string description: Comma-separated list of material_id values to query on - name: formula in: query type: string description: Query by formula including anonymized formula or by including wild cards. A comma delimited string list of anonymous formulas or regular formulas can also be pr - name: chemsys in: query type: string description: A comma delimited string list of chemical systems. Wildcards for unknown elements only supported for single chemsys queries - name: elements in: query type: string description: Query by elements in the material composition as a comma-separated list - name: exclude_elements in: query type: string description: Query by excluded elements in the material composition as a comma-separated list - name: task_ids in: query type: string description: Comma-separated list of task_ids to query on - name: deprecated in: query type: string description: Whether the material is marked as deprecated - name: nsites_max in: query type: string description: Query for maximum value of nsites - name: nsites_min in: query type: string description: Query for minimum value of nsites - name: nsites in: query type: string description: Query for nsites being equal to an exact value - name: nsites_not_eq in: query type: string description: Query for nsites being not equal to an exact value - name: nsites_eq_any in: query type: string description: Query for nsites being any of these values. Provide a comma separated list. - name: nsites_neq_any in: query type: string description: Query for nsites being not any of these values. Provide a comma separated list. - name: nelements_max in: query type: string description: Query for maximum value of nelements - name: nelements_min in: query type: string description: Query for minimum value of nelements - name: nelements in: query type: string description: Query for nelements being equal to an exact value - name: nelements_not_eq in: query type: string description: Query for nelements being not equal to an exact value - name: nelements_eq_any in: query type: string description: Query for nelements being any of these values. Provide a comma separated list. - name: nelements_neq_any in: query type: string description: Query for nelements being not any of these values. Provide a comma separated list. - name: volume_max in: query type: string description: Query for maximum value of volume - name: volume_min in: query type: string description: Query for minimum value of volume - name: density_max in: query type: string description: Query for maximum value of density - name: density_min in: query type: string description: Query for minimum value of density - name: density_atomic_max in: query type: string description: Query for maximum value of density_atomic - name: density_atomic_min in: query type: string description: Query for minimum value of density_atomic - name: _page in: query type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page in: query type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip in: query type: integer description: Number of entries to skip in the search. - name: _limit in: query type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: license in: query type: string description: Query by license. Can be commercial or non-commercial, or both - name: _fields in: query type: string description: 'Fields to project from MaterialsDoc as a list of comma separated strings. Fields include: `builder_meta` `nsites` `elements` `nelements` `composition` `composit' - name: _all_fields in: query type: boolean description: Include all fields. outputRawFormat: json outputParameters: - name: result type: object value: $. - name: materials-core-find-structure path: /materials/core/find_structure/ operations: - name: search-materials-core-find-structure-post method: POST description: Post FindStructure documents inputParameters: - name: ltol in: query type: number description: Fractional length tolerance. Default is 0.2. - name: stol in: query type: number description: Site tolerance. Defined as the fraction of the average free length per atom := ( V / Nsites ) ** (1/3). Default is 0.3. - name: angle_tol in: query type: number description: Angle tolerance in degrees. Default is 5 degrees. - name: _limit in: query type: integer description: Maximum number of matches to show. Defaults to 1, only showing the best match. outputRawFormat: json outputParameters: - name: result type: object value: $. - name: materials-core-formula-autocomplete path: /materials/core/formula_autocomplete/ operations: - name: search-materials-core-formula-autocomplete-get method: GET description: Get FormulaAutocomplete documents inputParameters: - name: formula in: query type: string required: true description: Human readable chemical formula. - name: limit in: query type: integer description: Maximum number of matches to show. Defaults to 10. outputRawFormat: json outputParameters: - name: result type: object value: $. - name: materials-core path: /materials/core/ operations: - name: search-materials-core-get method: GET description: Get MaterialsDoc documents inputParameters: - name: material_ids in: query type: string description: Comma-separated list of material_id values to query on - name: formula in: query type: string description: Query by formula including anonymized formula or by including wild cards. A comma delimited string list of anonymous formulas or regular formulas can also be pr - name: chemsys in: query type: string description: A comma delimited string list of chemical systems. Wildcards for unknown elements only supported for single chemsys queries - name: elements in: query type: string description: Query by elements in the material composition as a comma-separated list - name: exclude_elements in: query type: string description: Query by excluded elements in the material composition as a comma-separated list - name: task_ids in: query type: string description: Comma-separated list of task_ids to query on - name: crystal_system in: query type: string description: Crystal system of the material. If a comma-separated string, will query by multiple crystal systems. - name: spacegroup_number in: query type: string description: Space group number of the material. If a comma-separated string, will query by multiple space group numbers. - name: spacegroup_symbol in: query type: string description: Space group symbol of the material. If a comma-separated string, will query by multiple space group numbers. - name: deprecated in: query type: string description: Whether the material is marked as deprecated - name: nsites_max in: query type: string description: Query for maximum value of nsites - name: nsites_min in: query type: string description: Query for minimum value of nsites - name: nsites in: query type: string description: Query for nsites being equal to an exact value - name: nsites_not_eq in: query type: string description: Query for nsites being not equal to an exact value - name: nsites_eq_any in: query type: string description: Query for nsites being any of these values. Provide a comma separated list. - name: nsites_neq_any in: query type: string description: Query for nsites being not any of these values. Provide a comma separated list. - name: nelements_max in: query type: string description: Query for maximum value of nelements - name: nelements_min in: query type: string description: Query for minimum value of nelements - name: nelements in: query type: string description: Query for nelements being equal to an exact value - name: nelements_not_eq in: query type: string description: Query for nelements being not equal to an exact value - name: nelements_eq_any in: query type: string description: Query for nelements being any of these values. Provide a comma separated list. - name: nelements_neq_any in: query type: string description: Query for nelements being not any of these values. Provide a comma separated list. - name: volume_max in: query type: string description: Query for maximum value of volume - name: volume_min in: query type: string description: Query for minimum value of volume - name: density_max in: query type: string description: Query for maximum value of density - name: density_min in: query type: string description: Query for minimum value of density - name: density_atomic_max in: query type: string description: Query for maximum value of density_atomic - name: density_atomic_min in: query type: string description: Query for minimum value of density_atomic - name: _page in: query type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page in: query type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip in: query type: integer description: Number of entries to skip in the search. - name: _limit in: query type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: _fields in: query type: string description: 'Fields to project from MaterialsDoc as a list of comma separated strings. Fields include: `builder_meta` `nsites` `elements` `nelements` `composition` `composit' - name: _all_fields in: query type: boolean description: Include all fields. - name: license in: query type: string description: Query by license. Can be commercial or non-commercial, or both - name: batch_id in: query type: string description: Query by batch identifier - name: batch_id_not_eq in: query type: string description: Exclude batch identifier - name: batch_id_eq_any in: query type: string description: Query by a comma-separated list of batch identifiers - name: batch_id_neq_any in: query type: string description: Exclude a comma-separated list of batch identifiers outputRawFormat: json outputParameters: - name: result type: object value: $. - name: materials-absorption path: /materials/absorption/ operations: - name: search-materials-absorption-get method: GET description: Get AbsorptionDoc documents inputParameters: - name: material_ids in: query type: string description: Comma-separated list of material_id values to query on - name: nsites_max in: query type: string description: Query for maximum value of nsites - name: nsites_min in: query type: string description: Query for minimum value of nsites - name: nsites in: query type: string description: Query for nsites being equal to an exact value - name: nsites_not_eq in: query type: string description: Query for nsites being not equal to an exact value - name: nsites_eq_any in: query type: string description: Query for nsites being any of these values. Provide a comma separated list. - name: nsites_neq_any in: query type: string description: Query for nsites being not any of these values. Provide a comma separated list. - name: nelements_max in: query type: string description: Query for maximum value of nelements - name: nelements_min in: query type: string description: Query for minimum value of nelements - name: nelements in: query type: string description: Query for nelements being equal to an exact value - name: nelements_not_eq in: query type: string description: Query for nelements being not equal to an exact value - name: nelements_eq_any in: query type: string description: Query for nelements being any of these values. Provide a comma separated list. - name: nelements_neq_any in: query type: string description: Query for nelements being not any of these values. Provide a comma separated list. - name: volume_max in: query type: string description: Query for maximum value of volume - name: volume_min in: query type: string description: Query for minimum value of volume - name: density_max in: query type: string description: Query for maximum value of density - name: density_min in: query type: string description: Query for minimum value of density - name: density_atomic_max in: query type: string description: Query for maximum value of density_atomic - name: density_atomic_min in: query type: string description: Query for minimum value of density_atomic - name: bandgap_max in: query type: string description: Query for maximum value of bandgap - name: bandgap_min in: query type: string description: Query for minimum value of bandgap - name: _page in: query type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page in: query type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip in: query type: integer description: Number of entries to skip in the search. - name: _limit in: query type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: _fields in: query type: string description: 'Fields to project from AbsorptionDoc as a list of comma separated strings. Fields include: `builder_meta` `nsites` `elements` `nelements` `composition` `composi' - name: _all_fields in: query type: boolean description: Include all fields. outputRawFormat: json outputParameters: - name: result type: object value: $. - name: materials-bonds path: /materials/bonds/ operations: - name: search-materials-bonds-get method: GET description: Get BondingDoc documents inputParameters: - name: material_ids in: query type: string description: Comma-separated list of material_id values to query on - name: max_bond_length_max in: query type: string description: Maximum value for the maximum bond length in the structure. - name: max_bond_length_min in: query type: string description: Minimum value for the maximum bond length in the structure. - name: min_bond_length_max in: query type: string description: Maximum value for the minimum bond length in the structure. - name: min_bond_length_min in: query type: string description: Minimum value for the minimum bond length in the structure. - name: mean_bond_length_max in: query type: string description: Maximum value for the mean bond length in the structure. - name: mean_bond_length_min in: query type: string description: Minimum value for the mean bond length in the structure. - name: coordination_envs in: query type: string description: Query by coordination environments in the material composition as a comma-separated list (e.g. 'Mo-S(6),S-Mo(3)') - name: coordination_envs_anonymous in: query type: string description: Query by anonymous coordination environments in the material composition as a comma-separated list (e.g. 'A-B(6),A-B(3)') - name: _page in: query type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page in: query type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip in: query type: integer description: Number of entries to skip in the search. - name: _limit in: query type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: _fields in: query type: string description: 'Fields to project from BondingDoc as a list of comma separated strings. Fields include: `builder_meta` `nsites` `elements` `nelements` `composition` `compositio' - name: _all_fields in: query type: boolean description: Include all fields. outputRawFormat: json outputParameters: - name: result type: object value: $. - name: materials-chemenv path: /materials/chemenv/ operations: - name: search-materials-chemenv-get method: GET description: Get ChemEnvDoc documents inputParameters: - name: material_ids in: query type: string description: Comma-separated list of material_id values to query on - name: chemenv_iucr in: query type: string description: A comma delimited string list of unique (cationic) species in IUCR format. - name: chemenv_iupac in: query type: string description: A comma delimited string list of unique (cationic) species in IUPAC format. - name: chemenv_name in: query type: string description: A comma delimited string list of coordination environment descriptions for unique (cationic) species. - name: chemenv_symbol in: query type: string description: A comma delimited string list of ChemEnv symbols for unique (cationic) species in the structure. - name: species in: query type: string description: A comma delimited string list of unique (cationic) species in the structure. - name: csm_min in: query type: string description: Minimum value of the continous symmetry measure for any site. - name: csm_max in: query type: string description: Maximum value of the continous symmetry measure for any site. - name: elements in: query type: string description: Query by elements in the material composition as a comma-separated list - name: exclude_elements in: query type: string description: Query by excluded elements in the material composition as a comma-separated list - name: nsites_max in: query type: string description: Query for maximum value of nsites - name: nsites_min in: query type: string description: Query for minimum value of nsites - name: nsites in: query type: string description: Query for nsites being equal to an exact value - name: nsites_not_eq in: query type: string description: Query for nsites being not equal to an exact value - name: nsites_eq_any in: query type: string description: Query for nsites being any of these values. Provide a comma separated list. - name: nsites_neq_any in: query type: string description: Query for nsites being not any of these values. Provide a comma separated list. - name: nelements_max in: query type: string description: Query for maximum value of nelements - name: nelements_min in: query type: string description: Query for minimum value of nelements - name: nelements in: query type: string description: Query for nelements being equal to an exact value - name: nelements_not_eq in: query type: string description: Query for nelements being not equal to an exact value - name: nelements_eq_any in: query type: string description: Query for nelements being any of these values. Provide a comma separated list. - name: nelements_neq_any in: query type: string description: Query for nelements being not any of these values. Provide a comma separated list. - name: volume_max in: query type: string description: Query for maximum value of volume - name: volume_min in: query type: string description: Query for minimum value of volume - name: density_max in: query type: string description: Query for maximum value of density - name: density_min in: query type: string description: Query for minimum value of density - name: density_atomic_max in: query type: string description: Query for maximum value of density_atomic - name: density_atomic_min in: query type: string description: Query for minimum value of density_atomic - name: _page in: query type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page in: query type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip in: query type: integer description: Number of entries to skip in the search. - name: _limit in: query type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: _fields in: query type: string description: 'Fields to project from ChemEnvDoc as a list of comma separated strings. Fields include: `builder_meta` `nsites` `elements` `nelements` `composition` `compositio' - name: _all_fields in: query type: boolean description: Include all fields. outputRawFormat: json outputParameters: - name: result type: object value: $. - name: materials-tasks-trajectory path: /materials/tasks/trajectory/ operations: - name: search-materials-tasks-trajectory-get method: GET description: Get TrajectoryDoc documents inputParameters: - name: task_ids in: query type: string description: Comma-separated list of task_ids to query on - name: _page in: query type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page in: query type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip in: query type: integer description: Number of entries to skip in the search. - name: _limit in: query type: integer description: Max number of entries to return in a single query. Limited to 1000. outputRawFormat: json outputParameters: - name: result type: object value: $. - name: materials-tasks-entries path: /materials/tasks/entries/ operations: - name: search-materials-tasks-entries-get method: GET description: Get EntryDoc documents inputParameters: - name: task_ids in: query type: string description: Comma-separated list of task_ids to query on - name: _page in: query type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page in: query type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip in: query type: integer description: Number of entries to skip in the search. - name: _limit in: query type: integer description: Max number of entries to return in a single query. Limited to 1000. outputRawFormat: json outputParameters: - name: result type: object value: $. - name: materials-tasks-deprecation path: /materials/tasks/deprecation/ operations: - name: search-materials-tasks-deprecation-get method: GET description: Get DeprecationDoc documents inputParameters: - name: task_ids in: query type: string required: true description: Comma-separated list of task_ids to query on - name: _page in: query type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page in: query type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip in: query type: integer description: Number of entries to skip in the search. - name: _limit in: query type: integer description: Max number of entries to return in a single query. Limited to 1000. outputRawFormat: json outputParameters: - name: result type: object value: $. - name: materials-tasks path: /materials/tasks/ operations: - name: search-materials-tasks-get method: GET description: Get TaskDoc documents inputParameters: - name: batch_id in: query type: string description: Query by batch identifier - name: batch_id_not_eq in: query type: string description: Exclude batch identifier - name: batch_id_eq_any in: query type: string description: Query by a comma-separated list of batch identifiers - name: batch_id_neq_any in: query type: string description: Exclude a comma-separated list of batch identifiers - name: formula in: query type: string description: Query by formula including anonymized formula or by including wild cards. A comma delimited string list of anonymous formulas or regular formulas can also be pr - name: elements in: query type: string description: Query by elements in the material composition as a comma-separated list - name: exclude_elements in: query type: string description: Query by excluded elements in the material composition as a comma-separated list - name: task_ids in: query type: string description: Comma-separated list of task_ids to query on - name: last_updated_min in: query type: string description: Minimum last updated UTC datetime - name: last_updated_max in: query type: string description: Maximum last updated UTC datetime - name: _forward in: query type: boolean description: Whether to page forward (True) or backward (False) in the search results. - name: _pagination_token in: query type: string description: Pagination token for the next set of results. - name: _skip in: query type: integer description: Number of entries to skip in the search. - name: _limit in: query type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: _fields in: query type: string description: 'Fields to project from TaskDoc as a list of comma separated strings. Fields include: `nsites` `elements` `nelements` `composition` `composition_reduced` `formul' - name: _all_fields in: query type: boolean description: Include all fields. outputRawFormat: json outputParameters: - name: result type: object value: $. - name: materials-thermo path: /materials/thermo/ operations: - name: search-materials-thermo-get method: GET description: Get ThermoDoc documents inputParameters: - name: thermo_ids in: query type: string description: Comma-separated list of thermo_id values to query on - name: material_ids in: query type: string description: Comma-separated list of material_id values to query on - name: thermo_types in: query type: string description: Comma-separated list of thermo_type values to query on - name: formula in: query type: string description: Query by formula including anonymized formula or by including wild cards. A comma delimited string list of anonymous formulas or regular formulas can also be pr - name: chemsys in: query type: string description: A comma delimited string list of chemical systems. Wildcards for unknown elements only supported for single chemsys queries - name: is_stable in: query type: string description: Whether the material is stable. - name: nsites_max in: query type: string description: Query for maximum value of nsites - name: nsites_min in: query type: string description: Query for minimum value of nsites - name: nsites in: query type: string description: Query for nsites being equal to an exact value - name: nsites_not_eq in: query type: string description: Query for nsites being not equal to an exact value - name: nsites_eq_any in: query type: string description: Query for nsites being any of these values. Provide a comma separated list. - name: nsites_neq_any in: query type: string description: Query for nsites being not any of these values. Provide a comma separated list. - name: nelements_max in: query type: string description: Query for maximum value of nelements - name: nelements_min in: query type: string description: Query for minimum value of nelements - name: nelements in: query type: string description: Query for nelements being equal to an exact value - name: nelements_not_eq in: query type: string description: Query for nelements being not equal to an exact value - name: nelements_eq_any in: query type: string description: Query for nelements being any of these values. Provide a comma separated list. - name: nelements_neq_any in: query type: string description: Query for nelements being not any of these values. Provide a comma separated list. - name: volume_max in: query type: string description: Query for maximum value of volume - name: volume_min in: query type: string description: Query for minimum value of volume - name: density_max in: query type: string description: Query for maximum value of density - name: density_min in: query type: string description: Query for minimum value of density - name: density_atomic_max in: query type: string description: Query for maximum value of density_atomic - name: density_atomic_min in: query type: string description: Query for minimum value of density_atomic - name: uncorrected_energy_per_atom_max in: query type: number description: Query for maximum value of uncorrected_energy_per_atom - name: uncorrected_energy_per_atom_min in: query type: number description: Query for minimum value of uncorrected_energy_per_atom - name: energy_per_atom_max in: query type: number description: Query for maximum value of energy_per_atom - name: energy_per_atom_min in: query type: number description: Query for minimum value of energy_per_atom - name: energy_uncertainy_per_atom_max in: query type: string description: Query for maximum value of energy_uncertainy_per_atom - name: energy_uncertainy_per_atom_min in: query type: string description: Query for minimum value of energy_uncertainy_per_atom - name: formation_energy_per_atom_max in: query type: string description: Query for maximum value of formation_energy_per_atom - name: formation_energy_per_atom_min in: query type: string description: Query for minimum value of formation_energy_per_atom - name: energy_above_hull_max in: query type: number description: Query for maximum value of energy_above_hull - name: energy_above_hull_min in: query type: number description: Query for minimum value of energy_above_hull - name: equilibrium_reaction_energy_per_atom_max in: query type: string description: Query for maximum value of equilibrium_reaction_energy_per_atom - name: equilibrium_reaction_energy_per_atom_min in: query type: string description: Query for minimum value of equilibrium_reaction_energy_per_atom - name: decomposition_enthalpy_max in: query type: string description: Query for maximum value of decomposition_enthalpy - name: decomposition_enthalpy_min in: query type: string description: Query for minimum value of decomposition_enthalpy - name: _page in: query type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page in: query type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip in: query type: integer description: Number of entries to skip in the search. - name: _limit in: query type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: _fields in: query type: string description: 'Fields to project from ThermoDoc as a list of comma separated strings. Fields include: `builder_meta` `nsites` `elements` `nelements` `composition` `composition' - name: _all_fields in: query type: boolean description: Include all fields. - name: license in: query type: string description: Query by license. Can be commercial or non-commercial, or both outputRawFormat: json outputParameters: - name: result type: object value: $. - name: materials-dielectric path: /materials/dielectric/ operations: - name: search-materials-dielectric-get method: GET description: Get DielectricDoc documents inputParameters: - name: material_ids in: query type: string description: Comma-separated list of material_id values to query on - name: e_total_max in: query type: string description: Maximum value for the total dielectric constant. - name: e_total_min in: query type: string description: Minimum value for the total dielectric constant. - name: e_ionic_max in: query type: string description: Maximum value for the ionic dielectric constant. - name: e_ionic_min in: query type: string description: Minimum value for the ionic dielectric constant. - name: e_electronic_max in: query type: string description: Maximum value for the electronic dielectric constant. - name: e_electronic_min in: query type: string description: Minimum value for the electronic dielectric constant. - name: n_max in: query type: string description: Maximum value for the refractive index. - name: n_min in: query type: string description: Minimum value for the refractive index. - name: _page in: query type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page in: query type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip in: query type: integer description: Number of entries to skip in the search. - name: _limit in: query type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: _fields in: query type: string description: 'Fields to project from DielectricDoc as a list of comma separated strings. Fields include: `builder_meta` `nsites` `elements` `nelements` `composition` `composi' - name: _all_fields in: query type: boolean description: Include all fields. outputRawFormat: json outputParameters: - name: result type: object value: $. - name: materials-piezoelectric path: /materials/piezoelectric/ operations: - name: search-materials-piezoelectric-get method: GET description: Get PiezoelectricDoc documents inputParameters: - name: material_ids in: query type: string description: Comma-separated list of material_id values to query on - name: piezo_modulus_max in: query type: string description: Maximum value for the piezoelectric modulus in C/m². - name: piezo_modulus_min in: query type: string description: Minimum value for the piezoelectric modulus in C/m². - name: _page in: query type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page in: query type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip in: query type: integer description: Number of entries to skip in the search. - name: _limit in: query type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: _fields in: query type: string description: 'Fields to project from PiezoelectricDoc as a list of comma separated strings. Fields include: `builder_meta` `nsites` `elements` `nelements` `composition` `comp' - name: _all_fields in: query type: boolean description: Include all fields. outputRawFormat: json outputParameters: - name: result type: object value: $. - name: materials-magnetism path: /materials/magnetism/ operations: - name: search-materials-magnetism-get method: GET description: Get MagnetismDoc documents inputParameters: - name: material_ids in: query type: string description: Comma-separated list of material_id values to query on - name: ordering in: query type: string description: Magnetic ordering of the material. - name: total_magnetization_max in: query type: string description: Maximum value for the total magnetization. - name: total_magnetization_min in: query type: string description: Minimum value for the total magnetization. - name: total_magnetization_normalized_vol_max in: query type: string description: Maximum value for the total magnetization normalized with volume. - name: total_magnetization_normalized_vol_min in: query type: string description: Minimum value for the total magnetization normalized with volume. - name: total_magnetization_normalized_formula_units_max in: query type: string description: Maximum value for the total magnetization normalized with formula units. - name: total_magnetization_normalized_formula_units_min in: query type: string description: Minimum value for the total magnetization normalized with formula units. - name: num_magnetic_sites_max in: query type: string description: Maximum value for the total number of magnetic sites. - name: num_magnetic_sites_min in: query type: string description: Minimum value for the total number of magnetic sites. - name: num_unique_magnetic_sites_max in: query type: string description: Maximum value for the total number of unique magnetic sites. - name: num_unique_magnetic_sites_min in: query type: string description: Minimum value for the total number of unique magnetic sites. - name: _page in: query type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page in: query type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip in: query type: integer description: Number of entries to skip in the search. - name: _limit in: query type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: _fields in: query type: string description: 'Fields to project from MagnetismDoc as a list of comma separated strings. Fields include: `builder_meta` `nsites` `elements` `nelements` `composition` `composit' - name: _all_fields in: query type: boolean description: Include all fields. outputRawFormat: json outputParameters: - name: result type: object value: $. - name: materials-phonon path: /materials/phonon/ operations: - name: search-materials-phonon-get method: GET description: Get PhononBSDOSDoc documents inputParameters: - name: material_ids in: query type: string description: Comma-separated list of material_id values to query on - name: formula in: query type: string description: Query by formula including anonymized formula or by including wild cards. A comma delimited string list of anonymous formulas or regular formulas can also be pr - name: chemsys in: query type: string description: A comma delimited string list of chemical systems. Wildcards for unknown elements only supported for single chemsys queries - name: elements in: query type: string description: Query by elements in the material composition as a comma-separated list - name: exclude_elements in: query type: string description: Query by excluded elements in the material composition as a comma-separated list - name: crystal_system in: query type: string description: Crystal system of the material. If a comma-separated string, will query by multiple crystal systems. - name: spacegroup_number in: query type: string description: Space group number of the material. If a comma-separated string, will query by multiple space group numbers. - name: spacegroup_symbol in: query type: string description: Space group symbol of the material. If a comma-separated string, will query by multiple space group numbers. - name: phonon_method in: query type: string description: Phonon Method to search for - name: nsites_max in: query type: string description: Query for maximum value of nsites - name: nsites_min in: query type: string description: Query for minimum value of nsites - name: nsites in: query type: string description: Query for nsites being equal to an exact value - name: nsites_not_eq in: query type: string description: Query for nsites being not equal to an exact value - name: nsites_eq_any in: query type: string description: Query for nsites being any of these values. Provide a comma separated list. - name: nsites_neq_any in: query type: string description: Query for nsites being not any of these values. Provide a comma separated list. - name: nelements_max in: query type: string description: Query for maximum value of nelements - name: nelements_min in: query type: string description: Query for minimum value of nelements - name: nelements in: query type: string description: Query for nelements being equal to an exact value - name: nelements_not_eq in: query type: string description: Query for nelements being not equal to an exact value - name: nelements_eq_any in: query type: string description: Query for nelements being any of these values. Provide a comma separated list. - name: nelements_neq_any in: query type: string description: Query for nelements being not any of these values. Provide a comma separated list. - name: volume_max in: query type: string description: Query for maximum value of volume - name: volume_min in: query type: string description: Query for minimum value of volume - name: density_max in: query type: string description: Query for maximum value of density - name: density_min in: query type: string description: Query for minimum value of density - name: density_atomic_max in: query type: string description: Query for maximum value of density_atomic - name: density_atomic_min in: query type: string description: Query for minimum value of density_atomic - name: total_dft_energy_max in: query type: string description: Query for maximum value of total_dft_energy - name: total_dft_energy_min in: query type: string description: Query for minimum value of total_dft_energy - name: volume_per_formula_unit_max in: query type: string description: Query for maximum value of volume_per_formula_unit - name: volume_per_formula_unit_min in: query type: string description: Query for minimum value of volume_per_formula_unit - name: formula_units_max in: query type: string description: Query for maximum value of formula_units - name: formula_units_min in: query type: string description: Query for minimum value of formula_units - name: formula_units in: query type: string description: Query for formula_units being equal to an exact value - name: formula_units_not_eq in: query type: string description: Query for formula_units being not equal to an exact value - name: formula_units_eq_any in: query type: string description: Query for formula_units being any of these values. Provide a comma separated list. - name: formula_units_neq_any in: query type: string description: Query for formula_units being not any of these values. Provide a comma separated list. - name: _page in: query type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page in: query type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip in: query type: integer description: Number of entries to skip in the search. - name: _limit in: query type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: _fields in: query type: string description: 'Fields to project from PhononBSDOSDoc as a list of comma separated strings. Fields include: `nsites` `elements` `nelements` `composition` `composition_reduced` ' - name: _all_fields in: query type: boolean description: Include all fields. outputRawFormat: json outputParameters: - name: result type: object value: $. - name: materials-eos path: /materials/eos/ operations: - name: search-materials-eos-get method: GET description: Get EOSDoc documents inputParameters: - name: material_ids in: query type: string description: Comma-separated list of material_id values to query on - name: _page in: query type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page in: query type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip in: query type: integer description: Number of entries to skip in the search. - name: _limit in: query type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: _fields in: query type: string description: 'Fields to project from EOSDoc as a list of comma separated strings. Fields include: `builder_meta` `nsites` `elements` `nelements` `composition` `composition_re' - name: _all_fields in: query type: boolean description: Include all fields. outputRawFormat: json outputParameters: - name: result type: object value: $. - name: materials-similarity path: /materials/similarity/ operations: - name: search-materials-similarity-get method: GET description: Get SimilarityDoc documents inputParameters: - name: material_ids in: query type: string description: Comma-separated list of material_id values to query on - name: _page in: query type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page in: query type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip in: query type: integer description: Number of entries to skip in the search. - name: _limit in: query type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: _fields in: query type: string description: 'Fields to project from SimilarityDoc as a list of comma separated strings. Fields include: `builder_meta` `nsites` `elements` `nelements` `composition` `composi' - name: _all_fields in: query type: boolean description: Include all fields. outputRawFormat: json outputParameters: - name: result type: object value: $. - name: materials-similarity-match path: /materials/similarity/match/ operations: - name: search-materials-similarity-match-get method: GET description: Get SimilarityDoc documents inputParameters: - name: feature_vector_hex in: query type: string required: true description: A compressed, hex representation of a row unit vector of floats. - name: feature_vector_norm in: query type: number required: true description: The norm of the feature vector - name: method in: query type: string description: The method used to embed a structure as a feature vector. - name: _limit in: query type: integer description: Max number of entries to return in a single query. Limited to 10 by default outputRawFormat: json outputParameters: - name: result type: object value: $. - name: materials-xas path: /materials/xas/ operations: - name: search-materials-xas-get method: GET description: Get XASDoc documents inputParameters: - name: material_ids in: query type: string description: Comma-separated list of material_id values to query on - name: formula in: query type: string description: Query by formula including anonymized formula or by including wild cards. A comma delimited string list of anonymous formulas or regular formulas can also be pr - name: chemsys in: query type: string description: A comma delimited string list of chemical systems. Wildcards for unknown elements only supported for single chemsys queries - name: elements in: query type: string description: Query by elements in the material composition as a comma-separated list - name: exclude_elements in: query type: string description: Query by excluded elements in the material composition as a comma-separated list - name: edge in: query type: string - name: spectrum_type in: query type: string - name: absorbing_element in: query type: string - name: spectrum_ids in: query type: string description: Comma-separated list of spectrum_id to query on - name: _page in: query type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page in: query type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip in: query type: integer description: Number of entries to skip in the search. - name: _limit in: query type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: _fields in: query type: string description: 'Fields to project from XASDoc as a list of comma separated strings. Fields include: `builder_meta` `nsites` `elements` `nelements` `composition` `composition_re' - name: _all_fields in: query type: boolean description: Include all fields. - name: _sort_fields in: query type: string description: Comma delimited fields to sort with. Prefixing '-' to a field will force a sort in descending order. outputRawFormat: json outputParameters: - name: result type: object value: $. - name: materials-grain-boundaries path: /materials/grain_boundaries/ operations: - name: search-materials-grain-boundaries-get method: GET description: Get GrainBoundaryDoc documents inputParameters: - name: material_ids in: query type: string description: Comma-separated list of material_id values to query on - name: task_ids in: query type: string description: Comma-separated list of Materials Project IDs to query on. - name: sigma_max in: query type: string description: Query for maximum value of sigma - name: sigma_min in: query type: string description: Query for minimum value of sigma - name: sigma in: query type: string description: Value of sigma. - name: sigma_not_eq in: query type: string description: Query for sigma being not equal to an exact value - name: sigma_eq_any in: query type: string description: Query for sigma being any of these values. Provide a comma separated list. - name: sigma_neq_any in: query type: string description: Query for sigma being not any of these values. Provide a comma separated list. - name: rotation_angle_max in: query type: string description: Query for maximum value of rotation_angle - name: rotation_angle_min in: query type: string description: Query for minimum value of rotation_angle - name: gb_energy_max in: query type: string description: Query for maximum value of gb_energy - name: gb_energy_min in: query type: string description: Query for minimum value of gb_energy - name: w_sep_max in: query type: string description: Query for maximum value of w_sep - name: w_sep_min in: query type: string description: Query for minimum value of w_sep - name: type in: query type: string description: Grain boundary type. - name: chemsys in: query type: string description: Dash-delimited string of elements in the material. - name: pretty_formula in: query type: string description: Formula of the material. - name: gb_plane in: query type: string description: Miller index of the grain boundary plane as comma delimitd integers. - name: rotation_axis in: query type: string description: Miller index of the rotation axis as comma delimitd integers. - name: _page in: query type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page in: query type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip in: query type: integer description: Number of entries to skip in the search. - name: _limit in: query type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: _fields in: query type: string description: 'Fields to project from GrainBoundaryDoc as a list of comma separated strings. Fields include: `material_id` `sigma` `type` `rotation_axis` `gb_plane` `rotation_' - name: _all_fields in: query type: boolean description: Include all fields. outputRawFormat: json outputParameters: - name: result type: object value: $. - name: materials-fermi path: /materials/fermi/ operations: - name: search-materials-fermi-get method: GET description: Get FermiDoc documents inputParameters: - name: material_ids in: query type: string description: Comma-separated list of material_id values to query on - name: _page in: query type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page in: query type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip in: query type: integer description: Number of entries to skip in the search. - name: _limit in: query type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: _fields in: query type: string description: 'Fields to project from FermiDoc as a list of comma separated strings. Fields include: `fermi_surfaces` `surface_types` `material_id` `last_updated`' - name: _all_fields in: query type: boolean description: Include all fields. outputRawFormat: json outputParameters: - name: result type: object value: $. - name: materials-elasticity path: /materials/elasticity/ operations: - name: search-materials-elasticity-get method: GET description: Get ElasticityDoc documents inputParameters: - name: material_ids in: query type: string description: Comma-separated list of material_id values to query on - name: chemsys in: query type: string description: A comma delimited string list of chemical systems. - name: k_voigt_max in: query type: string description: Maximum value for the Voigt average of the bulk modulus in GPa. - name: k_voigt_min in: query type: string description: Minimum value for the Voigt average of the bulk modulus in GPa. - name: k_reuss_max in: query type: string description: Maximum value for the Reuss average of the bulk modulus in GPa. - name: k_reuss_min in: query type: string description: Minimum value for the Reuss average of the bulk modulus in GPa. - name: k_vrh_max in: query type: string description: Maximum value for the Voigt-Reuss-Hill average of the bulk modulus in GPa. - name: k_vrh_min in: query type: string description: Minimum value for the Voigt-Reuss-Hill average of the bulk modulus in GPa. - name: g_voigt_max in: query type: string description: Maximum value for the Voigt average of the shear modulus in GPa. - name: g_voigt_min in: query type: string description: Minimum value for the Voigt average of the shear modulus in GPa. - name: g_reuss_max in: query type: string description: Maximum value for the Reuss average of the shear modulus in GPa. - name: g_reuss_min in: query type: string description: Minimum value for the Reuss average of the shear modulus in GPa. - name: g_vrh_max in: query type: string description: Maximum value for the Voigt-Reuss-Hill average of the shear modulus in GPa. - name: g_vrh_min in: query type: string description: Minimum value for the Voigt-Reuss-Hill average of the shear modulus in GPa. - name: elastic_anisotropy_max in: query type: string description: Maximum value for the elastic anisotropy. - name: elastic_anisotropy_min in: query type: string description: Maximum value for the elastic anisotropy. - name: poisson_max in: query type: string description: Maximum value for Poisson's ratio. - name: poisson_min in: query type: string description: Minimum value for Poisson's ratio. - name: _page in: query type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page in: query type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip in: query type: integer description: Number of entries to skip in the search. - name: _limit in: query type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: _fields in: query type: string description: 'Fields to project from ElasticityDoc as a list of comma separated strings. Fields include: `builder_meta` `nsites` `elements` `nelements` `composition` `composi' - name: _all_fields in: query type: boolean description: Include all fields. outputRawFormat: json outputParameters: - name: result type: object value: $. - name: materials-substrates path: /materials/substrates/ operations: - name: search-materials-substrates-get method: GET description: Get SubstratesDoc documents inputParameters: - name: film_orientation in: query type: string description: Comma separated integers defining the film surface orientation. - name: substrate_orientation in: query type: string description: Comma separated integers defining the substrate surface orientation. - name: area_max in: query type: string description: Query for maximum value of area - name: area_min in: query type: string description: Query for minimum value of area - name: energy_max in: query type: string description: Query for maximum value of energy - name: energy_min in: query type: string description: Query for minimum value of energy - name: norients_max in: query type: string description: Query for maximum value of norients - name: norients_min in: query type: string description: Query for minimum value of norients - name: norients in: query type: string description: Query for norients being equal to an exact value - name: norients_not_eq in: query type: string description: Query for norients being not equal to an exact value - name: norients_eq_any in: query type: string description: Query for norients being any of these values. Provide a comma separated list. - name: norients_neq_any in: query type: string description: Query for norients being not any of these values. Provide a comma separated list. - name: sub_form in: query type: string description: Query for sub_form being equal to a value - name: sub_form_not_eq in: query type: string description: Query for sub_form being not equal to a value - name: sub_form_eq_any in: query type: string description: Query for sub_form being any of these values. Provide a comma separated list. - name: sub_form_neq_any in: query type: string description: Query for sub_form being not any of these values. Provide a comma separated list - name: sub_id in: query type: string description: Query for sub_id being equal to a value - name: sub_id_not_eq in: query type: string description: Query for sub_id being not equal to a value - name: sub_id_eq_any in: query type: string description: Query for sub_id being any of these values. Provide a comma separated list. - name: sub_id_neq_any in: query type: string description: Query for sub_id being not any of these values. Provide a comma separated list - name: film_id in: query type: string description: Query for film_id being equal to a value - name: film_id_not_eq in: query type: string description: Query for film_id being not equal to a value - name: film_id_eq_any in: query type: string description: Query for film_id being any of these values. Provide a comma separated list. - name: film_id_neq_any in: query type: string description: Query for film_id being not any of these values. Provide a comma separated list - name: _page in: query type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page in: query type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip in: query type: integer description: Number of entries to skip in the search. - name: _limit in: query type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: _fields in: query type: string description: 'Fields to project from SubstratesDoc as a list of comma separated strings. Fields include: `sub_form` `sub_id` `film_orient` `area` `energy` `film_id` `norients' - name: _all_fields in: query type: boolean description: Include all fields. outputRawFormat: json outputParameters: - name: result type: object value: $. - name: materials-surface-properties path: /materials/surface_properties/ operations: - name: search-materials-surface-properties-get method: GET description: Get SurfacePropDoc documents inputParameters: - name: material_ids in: query type: string description: Comma-separated list of material_id values to query on - name: weighted_surface_energy_EV_PER_ANG2_max in: query type: string description: Query for maximum value of weighted_surface_energy_EV_PER_ANG2 - name: weighted_surface_energy_EV_PER_ANG2_min in: query type: string description: Query for minimum value of weighted_surface_energy_EV_PER_ANG2 - name: weighted_surface_energy_max in: query type: string description: Query for maximum value of weighted_surface_energy - name: weighted_surface_energy_min in: query type: string description: Query for minimum value of weighted_surface_energy - name: surface_anisotropy_max in: query type: string description: Query for maximum value of surface_anisotropy - name: surface_anisotropy_min in: query type: string description: Query for minimum value of surface_anisotropy - name: shape_factor_max in: query type: string description: Query for maximum value of shape_factor - name: shape_factor_min in: query type: string description: Query for minimum value of shape_factor - name: weighted_work_function_max in: query type: string description: Query for maximum value of weighted_work_function - name: weighted_work_function_min in: query type: string description: Query for minimum value of weighted_work_function - name: has_reconstructed in: query type: string description: Whether the entry has a reconstructed surface. - name: _page in: query type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page in: query type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip in: query type: integer description: Number of entries to skip in the search. - name: _limit in: query type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: _fields in: query type: string description: 'Fields to project from SurfacePropDoc as a list of comma separated strings. Fields include: `surfaces` `weighted_surface_energy_EV_PER_ANG2` `weighted_surface_e' - name: _all_fields in: query type: boolean description: Include all fields. outputRawFormat: json outputParameters: - name: result type: object value: $. - name: materials-robocrys-text-search path: /materials/robocrys/text_search/ operations: - name: search-materials-robocrys-text-search-get method: GET description: Get RobocrystallogapherDoc documents inputParameters: - name: keywords in: query type: string required: true description: Comma delimited string keywords to search robocrystallographer description text with - name: _skip in: query type: integer description: Number of entries to skip in the search - name: _limit in: query type: integer description: Max number of entries to return in a single query. Limited to 1000 by default outputRawFormat: json outputParameters: - name: result type: object value: $. - name: materials-robocrys path: /materials/robocrys/ operations: - name: search-materials-robocrys-get method: GET description: Get RobocrystallogapherDoc documents inputParameters: - name: material_ids in: query type: string description: Comma-separated list of material_id values to query on - name: _page in: query type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page in: query type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip in: query type: integer description: Number of entries to skip in the search. - name: _limit in: query type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: _fields in: query type: string description: 'Fields to project from RobocrystallogapherDoc as a list of comma separated strings. Fields include: `builder_meta` `nsites` `elements` `nelements` `composition`' - name: _all_fields in: query type: boolean description: Include all fields. outputRawFormat: json outputParameters: - name: result type: object value: $. - name: materials-synthesis path: /materials/synthesis/ operations: - name: search-materials-synthesis-get method: GET description: Get SynthesisSearchResultModel documents inputParameters: - name: keywords in: query type: string description: Comma delimited string keywords to search synthesis paragraph text with. - name: synthesis_type in: query type: string description: Type of synthesis to include. - name: target_formula in: query type: string description: Chemical formula of the target material. - name: precursor_formula in: query type: string description: Chemical formula of the precursor material. - name: operations in: query type: string description: List of operations that syntheses must have. - name: condition_heating_temperature_min in: query type: string description: Minimal heating temperature. - name: condition_heating_temperature_max in: query type: string description: Maximal heating temperature. - name: condition_heating_time_min in: query type: string description: Minimal heating time. - name: condition_heating_time_max in: query type: string description: Maximal heating time. - name: condition_heating_atmosphere in: query type: string description: Required heating atmosphere, such as "air", "argon". - name: condition_mixing_device in: query type: string description: Required mixing device, such as "zirconia", "Al2O3". - name: condition_mixing_media in: query type: string description: Required mixing media, such as "alcohol", "water". - name: _skip in: query type: integer description: Number of entries to skip in the search - name: _limit in: query type: integer description: Max number of entries to return in a single query. Limited to 10. outputRawFormat: json outputParameters: - name: result type: object value: $. - name: materials-insertion-electrodes path: /materials/insertion_electrodes/ operations: - name: search-materials-insertion-electrodes-get method: GET description: Get InsertionElectrodeDoc documents inputParameters: - name: battery_ids in: query type: string description: Comma-separated list of battery_id values to query on - name: formula in: query type: string description: Query by formula including anonymized formula or by including wild cards. A comma delimited string list of anonymous formulas or regular formulas can also be pr - name: chemsys in: query type: string description: A comma delimited string list of chemical systems. Wildcards for unknown elements only supported for single chemsys queries - name: working_ion in: query type: string - name: elements in: query type: string description: Query by elements in the material composition as a comma-separated list - name: exclude_elements in: query type: string description: Query by excluded elements in the material composition as a comma-separated list - name: num_steps_max in: query type: string description: Query for maximum value of num_steps - name: num_steps_min in: query type: string description: Query for minimum value of num_steps - name: num_steps in: query type: string description: Query for num_steps being equal to an exact value - name: num_steps_not_eq in: query type: string description: Query for num_steps being not equal to an exact value - name: num_steps_eq_any in: query type: string description: Query for num_steps being any of these values. Provide a comma separated list. - name: num_steps_neq_any in: query type: string description: Query for num_steps being not any of these values. Provide a comma separated list. - name: max_voltage_step_max in: query type: string description: Query for maximum value of max_voltage_step - name: max_voltage_step_min in: query type: string description: Query for minimum value of max_voltage_step - name: nelements_max in: query type: string description: Query for maximum value of nelements - name: nelements_min in: query type: string description: Query for minimum value of nelements - name: nelements in: query type: string description: Query for nelements being equal to an exact value - name: nelements_not_eq in: query type: string description: Query for nelements being not equal to an exact value - name: nelements_eq_any in: query type: string description: Query for nelements being any of these values. Provide a comma separated list. - name: nelements_neq_any in: query type: string description: Query for nelements being not any of these values. Provide a comma separated list. - name: max_delta_volume_max in: query type: string description: Query for maximum value of max_delta_volume - name: max_delta_volume_min in: query type: string description: Query for minimum value of max_delta_volume - name: average_voltage_max in: query type: string description: Query for maximum value of average_voltage - name: average_voltage_min in: query type: string description: Query for minimum value of average_voltage - name: capacity_grav_max in: query type: string description: Query for maximum value of capacity_grav - name: capacity_grav_min in: query type: string description: Query for minimum value of capacity_grav - name: capacity_vol_max in: query type: string description: Query for maximum value of capacity_vol - name: capacity_vol_min in: query type: string description: Query for minimum value of capacity_vol - name: energy_grav_max in: query type: string description: Query for maximum value of energy_grav - name: energy_grav_min in: query type: string description: Query for minimum value of energy_grav - name: energy_vol_max in: query type: string description: Query for maximum value of energy_vol - name: energy_vol_min in: query type: string description: Query for minimum value of energy_vol - name: fracA_charge_max in: query type: string description: Query for maximum value of fracA_charge - name: fracA_charge_min in: query type: string description: Query for minimum value of fracA_charge - name: fracA_discharge_max in: query type: string description: Query for maximum value of fracA_discharge - name: fracA_discharge_min in: query type: string description: Query for minimum value of fracA_discharge - name: stability_charge_max in: query type: string description: Query for maximum value of stability_charge - name: stability_charge_min in: query type: string description: Query for minimum value of stability_charge - name: stability_discharge_max in: query type: string description: Query for maximum value of stability_discharge - name: stability_discharge_min in: query type: string description: Query for minimum value of stability_discharge - name: _page in: query type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page in: query type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip in: query type: integer description: Number of entries to skip in the search. - name: _limit in: query type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: _fields in: query type: string description: 'Fields to project from InsertionElectrodeDoc as a list of comma separated strings. Fields include: `builder_meta` `battery_type` `battery_id` `thermo_type` `bat' - name: _all_fields in: query type: boolean description: Include all fields. - name: _sort_fields in: query type: string description: Comma delimited fields to sort with. Prefixing '-' to a field will force a sort in descending order. outputRawFormat: json outputParameters: - name: result type: object value: $. - name: materials-conversion-electrodes path: /materials/conversion_electrodes/ operations: - name: search-materials-conversion-electrodes-get method: GET description: Get ConversionElectrodeDoc documents inputParameters: - name: battery_ids in: query type: string description: Comma-separated list of battery_id values to query on - name: working_ion in: query type: string - name: num_steps_max in: query type: string description: Query for maximum value of num_steps - name: num_steps_min in: query type: string description: Query for minimum value of num_steps - name: num_steps in: query type: string description: Query for num_steps being equal to an exact value - name: num_steps_not_eq in: query type: string description: Query for num_steps being not equal to an exact value - name: num_steps_eq_any in: query type: string description: Query for num_steps being any of these values. Provide a comma separated list. - name: num_steps_neq_any in: query type: string description: Query for num_steps being not any of these values. Provide a comma separated list. - name: max_voltage_step_max in: query type: string description: Query for maximum value of max_voltage_step - name: max_voltage_step_min in: query type: string description: Query for minimum value of max_voltage_step - name: nelements_max in: query type: string description: Query for maximum value of nelements - name: nelements_min in: query type: string description: Query for minimum value of nelements - name: nelements in: query type: string description: Query for nelements being equal to an exact value - name: nelements_not_eq in: query type: string description: Query for nelements being not equal to an exact value - name: nelements_eq_any in: query type: string description: Query for nelements being any of these values. Provide a comma separated list. - name: nelements_neq_any in: query type: string description: Query for nelements being not any of these values. Provide a comma separated list. - name: max_delta_volume_max in: query type: string description: Query for maximum value of max_delta_volume - name: max_delta_volume_min in: query type: string description: Query for minimum value of max_delta_volume - name: average_voltage_max in: query type: string description: Query for maximum value of average_voltage - name: average_voltage_min in: query type: string description: Query for minimum value of average_voltage - name: capacity_grav_max in: query type: string description: Query for maximum value of capacity_grav - name: capacity_grav_min in: query type: string description: Query for minimum value of capacity_grav - name: capacity_vol_max in: query type: string description: Query for maximum value of capacity_vol - name: capacity_vol_min in: query type: string description: Query for minimum value of capacity_vol - name: energy_grav_max in: query type: string description: Query for maximum value of energy_grav - name: energy_grav_min in: query type: string description: Query for minimum value of energy_grav - name: energy_vol_max in: query type: string description: Query for maximum value of energy_vol - name: energy_vol_min in: query type: string description: Query for minimum value of energy_vol - name: fracA_charge_max in: query type: string description: Query for maximum value of fracA_charge - name: fracA_charge_min in: query type: string description: Query for minimum value of fracA_charge - name: fracA_discharge_max in: query type: string description: Query for maximum value of fracA_discharge - name: fracA_discharge_min in: query type: string description: Query for minimum value of fracA_discharge - name: _page in: query type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page in: query type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip in: query type: integer description: Number of entries to skip in the search. - name: _limit in: query type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: _fields in: query type: string description: 'Fields to project from ConversionElectrodeDoc as a list of comma separated strings. Fields include: `builder_meta` `battery_type` `battery_id` `thermo_type` `ba' - name: _all_fields in: query type: boolean description: Include all fields. outputRawFormat: json outputParameters: - name: result type: object value: $. - name: materials-oxidation-states path: /materials/oxidation_states/ operations: - name: search-materials-oxidation-states-get method: GET description: Get OxidationStateDoc documents inputParameters: - name: material_ids in: query type: string description: Comma-separated list of material_id values to query on - name: formula in: query type: string description: Query by formula including anonymized formula or by including wild cards. A comma delimited string list of anonymous formulas or regular formulas can also be pr - name: chemsys in: query type: string description: A comma delimited string list of chemical systems. Wildcards for unknown elements only supported for single chemsys queries - name: possible_species in: query type: string description: Comma delimited list of element symbols appended with oxidation states. (e.g. Cr2+,O2-) - name: _page in: query type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page in: query type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip in: query type: integer description: Number of entries to skip in the search. - name: _limit in: query type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: _fields in: query type: string description: 'Fields to project from OxidationStateDoc as a list of comma separated strings. Fields include: `builder_meta` `nsites` `elements` `nelements` `composition` `com' - name: _all_fields in: query type: boolean description: Include all fields. - name: license in: query type: string description: Query by license. Can be commercial or non-commercial, or both outputRawFormat: json outputParameters: - name: result type: object value: $. - name: materials-alloys path: /materials/alloys/ operations: - name: search-materials-alloys-get method: GET description: Get AlloyPairDoc documents inputParameters: - name: material_ids in: query type: string description: Comma-separated list of material_ids to query on - name: formulae in: query type: string description: Comma-separated list of end-point formulas to query. - name: _page in: query type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page in: query type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip in: query type: integer description: Number of entries to skip in the search. - name: _limit in: query type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: _fields in: query type: string description: 'Fields to project from AlloyPairDoc as a list of comma separated strings. Fields include: `builder_meta` `alloy_pair` `pair_id`' - name: _all_fields in: query type: boolean description: Include all fields. outputRawFormat: json outputParameters: - name: result type: object value: $. - name: materials-provenance path: /materials/provenance/ operations: - name: search-materials-provenance-get method: GET description: Get ProvenanceDoc documents inputParameters: - name: material_ids in: query type: string description: Comma-separated list of material_id values to query on - name: deprecated in: query type: string description: Whether the material is marked as deprecated - name: _page in: query type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page in: query type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip in: query type: integer description: Number of entries to skip in the search. - name: _limit in: query type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: _fields in: query type: string description: 'Fields to project from ProvenanceDoc as a list of comma separated strings. Fields include: `builder_meta` `nsites` `elements` `nelements` `composition` `composi' - name: _all_fields in: query type: boolean description: Include all fields. outputRawFormat: json outputParameters: - name: result type: object value: $. - name: materials-summary path: /materials/summary/ operations: - name: search-materials-summary-get method: GET description: Get SummaryDoc documents inputParameters: - name: material_ids in: query type: string description: Comma-separated list of material_ids to query on - name: formula in: query type: string description: Query by formula including anonymized formula or by including wild cards. A comma delimited string list of anonymous formulas or regular formulas can also be pr - name: chemsys in: query type: string description: A comma delimited string list of chemical systems. Wildcards for unknown elements only supported for single chemsys queries - name: elements in: query type: string description: Query by elements in the material composition as a comma-separated list - name: exclude_elements in: query type: string description: Query by excluded elements in the material composition as a comma-separated list - name: possible_species in: query type: string description: Comma delimited list of element symbols appended with oxidation states. (e.g. Cr2+,O2-) - name: crystal_system in: query type: string description: Crystal system of the material. If a comma-separated string, will query by multiple crystal systems. - name: spacegroup_number in: query type: string description: Space group number of the material. If a comma-separated string, will query by multiple space group numbers. - name: spacegroup_symbol in: query type: string description: Space group symbol of the material. If a comma-separated string, will query by multiple space group numbers. - name: is_stable in: query type: string description: Whether the material is stable. - name: theoretical in: query type: string description: Whether the material is theoretical. - name: ordering in: query type: string description: Magnetic ordering of the material. - name: is_gap_direct in: query type: string description: Whether a band gap is direct or not. - name: is_metal in: query type: string description: Whether the material is considered a metal. - name: nsites_max in: query type: string description: Query for maximum value of nsites - name: nsites_min in: query type: string description: Query for minimum value of nsites - name: nsites in: query type: string description: Query for nsites being equal to an exact value - name: nsites_not_eq in: query type: string description: Query for nsites being not equal to an exact value - name: nsites_eq_any in: query type: string description: Query for nsites being any of these values. Provide a comma separated list. - name: nsites_neq_any in: query type: string description: Query for nsites being not any of these values. Provide a comma separated list. - name: nelements_max in: query type: string description: Query for maximum value of nelements - name: nelements_min in: query type: string description: Query for minimum value of nelements - name: nelements in: query type: string description: Query for nelements being equal to an exact value - name: nelements_not_eq in: query type: string description: Query for nelements being not equal to an exact value - name: nelements_eq_any in: query type: string description: Query for nelements being any of these values. Provide a comma separated list. - name: nelements_neq_any in: query type: string description: Query for nelements being not any of these values. Provide a comma separated list. - name: volume_max in: query type: string description: Query for maximum value of volume - name: volume_min in: query type: string description: Query for minimum value of volume - name: density_max in: query type: string description: Query for maximum value of density - name: density_min in: query type: string description: Query for minimum value of density - name: density_atomic_max in: query type: string description: Query for maximum value of density_atomic - name: density_atomic_min in: query type: string description: Query for minimum value of density_atomic - name: uncorrected_energy_per_atom_max in: query type: string description: Query for maximum value of uncorrected_energy_per_atom - name: uncorrected_energy_per_atom_min in: query type: string description: Query for minimum value of uncorrected_energy_per_atom - name: energy_per_atom_max in: query type: string description: Query for maximum value of energy_per_atom - name: energy_per_atom_min in: query type: string description: Query for minimum value of energy_per_atom - name: formation_energy_per_atom_max in: query type: string description: Query for maximum value of formation_energy_per_atom - name: formation_energy_per_atom_min in: query type: string description: Query for minimum value of formation_energy_per_atom - name: energy_above_hull_max in: query type: string description: Query for maximum value of energy_above_hull - name: energy_above_hull_min in: query type: string description: Query for minimum value of energy_above_hull - name: equilibrium_reaction_energy_per_atom_max in: query type: string description: Query for maximum value of equilibrium_reaction_energy_per_atom - name: equilibrium_reaction_energy_per_atom_min in: query type: string description: Query for minimum value of equilibrium_reaction_energy_per_atom - name: band_gap_max in: query type: string description: Query for maximum value of band_gap - name: band_gap_min in: query type: string description: Query for minimum value of band_gap - name: cbm_max in: query type: string description: Query for maximum value of cbm - name: cbm_min in: query type: string description: Query for minimum value of cbm - name: vbm_max in: query type: string description: Query for maximum value of vbm - name: vbm_min in: query type: string description: Query for minimum value of vbm - name: efermi_max in: query type: string description: Query for maximum value of efermi - name: efermi_min in: query type: string description: Query for minimum value of efermi - name: dos_energy_up_max in: query type: string description: Query for maximum value of dos_energy_up - name: dos_energy_up_min in: query type: string description: Query for minimum value of dos_energy_up - name: dos_energy_down_max in: query type: string description: Query for maximum value of dos_energy_down - name: dos_energy_down_min in: query type: string description: Query for minimum value of dos_energy_down - name: total_magnetization_max in: query type: string description: Query for maximum value of total_magnetization - name: total_magnetization_min in: query type: string description: Query for minimum value of total_magnetization - name: total_magnetization_normalized_vol_max in: query type: string description: Query for maximum value of total_magnetization_normalized_vol - name: total_magnetization_normalized_vol_min in: query type: string description: Query for minimum value of total_magnetization_normalized_vol - name: total_magnetization_normalized_formula_units_max in: query type: string description: Query for maximum value of total_magnetization_normalized_formula_units - name: total_magnetization_normalized_formula_units_min in: query type: string description: Query for minimum value of total_magnetization_normalized_formula_units - name: num_magnetic_sites_max in: query type: string description: Query for maximum value of num_magnetic_sites - name: num_magnetic_sites_min in: query type: string description: Query for minimum value of num_magnetic_sites - name: num_magnetic_sites in: query type: string description: Query for num_magnetic_sites being equal to an exact value - name: num_magnetic_sites_not_eq in: query type: string description: Query for num_magnetic_sites being not equal to an exact value - name: num_magnetic_sites_eq_any in: query type: string description: Query for num_magnetic_sites being any of these values. Provide a comma separated list. - name: num_magnetic_sites_neq_any in: query type: string description: Query for num_magnetic_sites being not any of these values. Provide a comma separated list. - name: num_unique_magnetic_sites_max in: query type: string description: Query for maximum value of num_unique_magnetic_sites - name: num_unique_magnetic_sites_min in: query type: string description: Query for minimum value of num_unique_magnetic_sites - name: num_unique_magnetic_sites in: query type: string description: Query for num_unique_magnetic_sites being equal to an exact value - name: num_unique_magnetic_sites_not_eq in: query type: string description: Query for num_unique_magnetic_sites being not equal to an exact value - name: num_unique_magnetic_sites_eq_any in: query type: string description: Query for num_unique_magnetic_sites being any of these values. Provide a comma separated list. - name: num_unique_magnetic_sites_neq_any in: query type: string description: Query for num_unique_magnetic_sites being not any of these values. Provide a comma separated list. - name: universal_anisotropy_max in: query type: string description: Query for maximum value of universal_anisotropy - name: universal_anisotropy_min in: query type: string description: Query for minimum value of universal_anisotropy - name: homogeneous_poisson_max in: query type: string description: Query for maximum value of homogeneous_poisson - name: homogeneous_poisson_min in: query type: string description: Query for minimum value of homogeneous_poisson - name: e_total_max in: query type: string description: Query for maximum value of e_total - name: e_total_min in: query type: string description: Query for minimum value of e_total - name: e_ionic_max in: query type: string description: Query for maximum value of e_ionic - name: e_ionic_min in: query type: string description: Query for minimum value of e_ionic - name: e_electronic_max in: query type: string description: Query for maximum value of e_electronic - name: e_electronic_min in: query type: string description: Query for minimum value of e_electronic - name: n_max in: query type: string description: Query for maximum value of n - name: n_min in: query type: string description: Query for minimum value of n - name: e_ij_max_max in: query type: string description: Query for maximum value of e_ij_max - name: e_ij_max_min in: query type: string description: Query for minimum value of e_ij_max - name: weighted_surface_energy_EV_PER_ANG2_max in: query type: string description: Query for maximum value of weighted_surface_energy_EV_PER_ANG2 - name: weighted_surface_energy_EV_PER_ANG2_min in: query type: string description: Query for minimum value of weighted_surface_energy_EV_PER_ANG2 - name: weighted_surface_energy_max in: query type: string description: Query for maximum value of weighted_surface_energy - name: weighted_surface_energy_min in: query type: string description: Query for minimum value of weighted_surface_energy - name: weighted_work_function_max in: query type: string description: Query for maximum value of weighted_work_function - name: weighted_work_function_min in: query type: string description: Query for minimum value of weighted_work_function - name: surface_anisotropy_max in: query type: string description: Query for maximum value of surface_anisotropy - name: surface_anisotropy_min in: query type: string description: Query for minimum value of surface_anisotropy - name: shape_factor_max in: query type: string description: Query for maximum value of shape_factor - name: shape_factor_min in: query type: string description: Query for minimum value of shape_factor - name: k_voigt_max in: query type: string description: Maximum value for the Voigt average of the bulk modulus in GPa. - name: k_voigt_min in: query type: string description: Minimum value for the Voigt average of the bulk modulus in GPa. - name: k_reuss_max in: query type: string description: Maximum value for the Reuss average of the bulk modulus in GPa. - name: k_reuss_min in: query type: string description: Minimum value for the Reuss average of the bulk modulus in GPa. - name: k_vrh_max in: query type: string description: Maximum value for the Voigt-Reuss-Hill average of the bulk modulus in GPa. - name: k_vrh_min in: query type: string description: Minimum value for the Voigt-Reuss-Hill average of the bulk modulus in GPa. - name: g_voigt_max in: query type: string description: Maximum value for the Voigt average of the shear modulus in GPa. - name: g_voigt_min in: query type: string description: Minimum value for the Voigt average of the shear modulus in GPa. - name: g_reuss_max in: query type: string description: Maximum value for the Reuss average of the shear modulus in GPa. - name: g_reuss_min in: query type: string description: Minimum value for the Reuss average of the shear modulus in GPa. - name: g_vrh_max in: query type: string description: Maximum value for the Voigt-Reuss-Hill average of the shear modulus in GPa. - name: g_vrh_min in: query type: string description: Minimum value for the Voigt-Reuss-Hill average of the shear modulus in GPa. - name: has_reconstructed in: query type: string description: Whether the material has reconstructed surfaces. - name: has_props in: query type: string description: Comma-delimited list of possible properties given by HasPropsEnum to search for. - name: deprecated in: query type: string description: Whether the material is marked as deprecated - name: _page in: query type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page in: query type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip in: query type: integer description: Number of entries to skip in the search. - name: _limit in: query type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: _fields in: query type: string description: 'Fields to project from SummaryDoc as a list of comma separated strings. Fields include: `builder_meta` `nsites` `elements` `nelements` `composition` `compositio' - name: _all_fields in: query type: boolean description: Include all fields. - name: license in: query type: string description: Query by license. Can be commercial or non-commercial, or both - name: _sort_fields in: query type: string description: Comma delimited fields to sort with. Prefixing '-' to a field will force a sort in descending order. - name: batch_id in: query type: string description: Query by batch identifier - name: batch_id_not_eq in: query type: string description: Exclude batch identifier - name: batch_id_eq_any in: query type: string description: Query by a comma-separated list of batch identifiers - name: batch_id_neq_any in: query type: string description: Exclude a comma-separated list of batch identifiers outputRawFormat: json outputParameters: - name: result type: object value: $. - name: materials-electronic-structure-bandstructure path: /materials/electronic_structure/bandstructure/ operations: - name: search-materials-electronic-structure-bandstruct method: GET description: Get ElectronicStructureDoc documents inputParameters: - name: path_type in: query type: string description: k-path selection convention for the band structure. - name: band_gap_max in: query type: string description: Maximum value for the band gap energy in eV. - name: band_gap_min in: query type: string description: Minimum value for the band gap energy in eV. - name: efermi_max in: query type: string description: Maximum value for the fermi energy in eV. - name: efermi_min in: query type: string description: Minimum value for the fermi energy in eV. - name: magnetic_ordering in: query type: string description: Magnetic ordering associated with the data. - name: is_gap_direct in: query type: string description: Whether a band gap is direct or not. - name: is_metal in: query type: string description: Whether the material is considered a metal. - name: deprecated in: query type: string description: Whether the material is marked as deprecated - name: _page in: query type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page in: query type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip in: query type: integer description: Number of entries to skip in the search. - name: _limit in: query type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: _fields in: query type: string description: 'Fields to project from ElectronicStructureDoc as a list of comma separated strings. Fields include: `task_id` `band_gap` `cbm` `vbm` `efermi` `is_gap_direct` `i' - name: _all_fields in: query type: boolean description: Include all fields. outputRawFormat: json outputParameters: - name: result type: object value: $. - name: materials-electronic-structure-dos path: /materials/electronic_structure/dos/ operations: - name: search-materials-electronic-structure-dos-get method: GET description: Get ElectronicStructureDoc documents inputParameters: - name: projection_type in: query type: string description: Projection type for the density of states data. - name: spin in: query type: string description: Spin channel for density of states data. '1' corresponds to spin up. - name: element in: query type: string description: Element type for projected density of states data. - name: orbital in: query type: string description: Orbital type for projected density of states data. - name: band_gap_max in: query type: string description: Maximum value for the band gap energy in eV. - name: band_gap_min in: query type: string description: Minimum value for the band gap energy in eV. - name: efermi_max in: query type: string description: Maximum value for the fermi energy in eV. - name: efermi_min in: query type: string description: Minimum value for the fermi energy in eV. - name: magnetic_ordering in: query type: string description: Magnetic ordering associated with the data. - name: deprecated in: query type: string description: Whether the material is marked as deprecated - name: _page in: query type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page in: query type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip in: query type: integer description: Number of entries to skip in the search. - name: _limit in: query type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: _fields in: query type: string description: 'Fields to project from ElectronicStructureDoc as a list of comma separated strings. Fields include: `task_id` `band_gap` `cbm` `vbm` `efermi` `is_gap_direct` `i' - name: _all_fields in: query type: boolean description: Include all fields. outputRawFormat: json outputParameters: - name: result type: object value: $. - name: materials-electronic-structure path: /materials/electronic_structure/ operations: - name: search-materials-electronic-structure-get method: GET description: Get ElectronicStructureDoc documents inputParameters: - name: material_ids in: query type: string description: Comma-separated list of material_id values to query on - name: magnetic_ordering in: query type: string description: Magnetic ordering associated with the data. - name: is_gap_direct in: query type: string description: Whether a band gap is direct or not. - name: is_metal in: query type: string description: Whether the material is considered a metal. - name: formula in: query type: string description: Query by formula including anonymized formula or by including wild cards. A comma delimited string list of anonymous formulas or regular formulas can also be pr - name: chemsys in: query type: string description: A comma delimited string list of chemical systems. Wildcards for unknown elements only supported for single chemsys queries - name: elements in: query type: string description: Query by elements in the material composition as a comma-separated list - name: exclude_elements in: query type: string description: Query by excluded elements in the material composition as a comma-separated list - name: band_gap_max in: query type: number description: Query for maximum value of band_gap - name: band_gap_min in: query type: number description: Query for minimum value of band_gap - name: cbm_max in: query type: string description: Query for maximum value of cbm - name: cbm_min in: query type: string description: Query for minimum value of cbm - name: vbm_max in: query type: string description: Query for maximum value of vbm - name: vbm_min in: query type: string description: Query for minimum value of vbm - name: efermi_max in: query type: string description: Query for maximum value of efermi - name: efermi_min in: query type: string description: Query for minimum value of efermi - name: nsites_max in: query type: string description: Query for maximum value of nsites - name: nsites_min in: query type: string description: Query for minimum value of nsites - name: nsites in: query type: string description: Query for nsites being equal to an exact value - name: nsites_not_eq in: query type: string description: Query for nsites being not equal to an exact value - name: nsites_eq_any in: query type: string description: Query for nsites being any of these values. Provide a comma separated list. - name: nsites_neq_any in: query type: string description: Query for nsites being not any of these values. Provide a comma separated list. - name: nelements_max in: query type: string description: Query for maximum value of nelements - name: nelements_min in: query type: string description: Query for minimum value of nelements - name: nelements in: query type: string description: Query for nelements being equal to an exact value - name: nelements_not_eq in: query type: string description: Query for nelements being not equal to an exact value - name: nelements_eq_any in: query type: string description: Query for nelements being any of these values. Provide a comma separated list. - name: nelements_neq_any in: query type: string description: Query for nelements being not any of these values. Provide a comma separated list. - name: volume_max in: query type: string description: Query for maximum value of volume - name: volume_min in: query type: string description: Query for minimum value of volume - name: density_max in: query type: string description: Query for maximum value of density - name: density_min in: query type: string description: Query for minimum value of density - name: density_atomic_max in: query type: string description: Query for maximum value of density_atomic - name: density_atomic_min in: query type: string description: Query for minimum value of density_atomic - name: deprecated in: query type: string description: Whether the material is marked as deprecated - name: _page in: query type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page in: query type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip in: query type: integer description: Number of entries to skip in the search. - name: _limit in: query type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: _fields in: query type: string description: 'Fields to project from ElectronicStructureDoc as a list of comma separated strings. Fields include: `task_id` `band_gap` `cbm` `vbm` `efermi` `is_gap_direct` `i' - name: _all_fields in: query type: boolean description: Include all fields. outputRawFormat: json outputParameters: - name: result type: object value: $. - name: molecules-summary path: /molecules/summary/ operations: - name: search-molecules-summary-get method: GET description: Get MoleculeSummaryDoc documents inputParameters: - name: molecule_ids in: query type: string description: Comma-separated list of molecule_ids to query on - name: formula in: query type: string description: Query by alphabetical formula. A comma delimited string list of alphabetical formulas can also be provided. - name: chemsys in: query type: string description: A comma delimited string list of chemical systems. Wildcards for unknown elements only supported for single chemsys queries - name: elements in: query type: string description: Query by elements in the material composition as a comma-separated list - name: exclude_elements in: query type: string description: Query by excluded elements in the material composition as a comma-separated list - name: has_props in: query type: string description: Comma-delimited list of possible properties given by HasPropsEnum to search for. - name: charge in: query type: string description: Query by molecular charge - name: spin_multiplicity in: query type: string description: Query by molecular spin multiplicity. - name: inchi in: query type: string description: International chemical identifier (InChI) string for this molecule - name: inchi_key in: query type: string description: Hash of the InChI, also known as the InChI-key - name: species_hash in: query type: string description: Graph hash augmented with node species - name: coord_hash in: query type: string description: Graph hash augmented with node XYZ coordinates - name: _page in: query type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page in: query type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip in: query type: integer description: Number of entries to skip in the search. - name: _limit in: query type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: nelements_max in: query type: string description: Query for maximum value of nelements - name: nelements_min in: query type: string description: Query for minimum value of nelements - name: nelements in: query type: string description: Query for nelements being equal to an exact value - name: nelements_not_eq in: query type: string description: Query for nelements being not equal to an exact value - name: nelements_eq_any in: query type: string description: Query for nelements being any of these values. Provide a comma separated list. - name: nelements_neq_any in: query type: string description: Query for nelements being not any of these values. Provide a comma separated list. - name: _sort_fields in: query type: string description: Comma delimited fields to sort with. Prefixing '-' to a field will force a sort in descending order. - name: _fields in: query type: string description: 'Fields to project from MoleculeSummaryDoc as a list of comma separated strings. Fields include: `charge` `spin_multiplicity` `natoms` `elements` `nelements` `ne' - name: _all_fields in: query type: boolean description: Include all fields. outputRawFormat: json outputParameters: - name: result type: object value: $. - name: molecules-jcesr path: /molecules/jcesr/ operations: - name: search-molecules-jcesr-get method: GET description: Get MoleculesDoc documents inputParameters: - name: nelements_max in: query type: string description: Maximum value for the number of elements. - name: nelements_min in: query type: string description: Minimum value for the number of elements. - name: EA_max in: query type: string description: Maximum value for the electron affinity in eV. - name: EA_min in: query type: string description: Minimum value for the electron affinity in eV. - name: IE_max in: query type: string description: Maximum value for the ionization energy in eV. - name: IE_min in: query type: string description: Minimum value for the ionization energy in eV. - name: charge_max in: query type: string description: Maximum value for the charge in +e. - name: charge_min in: query type: string description: Minimum value for the charge in +e. - name: pointgroup in: query type: string description: Point of the molecule in Schoenflies notation. - name: smiles in: query type: string description: The simplified molecular input line-entry system (SMILES) representation of the molecule. - name: elements in: query type: string description: Query by elements in the material composition as a comma-separated list - name: formula in: query type: string description: Chemical formula of the molecule. A comma-separated list of formulas is also accepted. - name: task_ids in: query type: string description: Comma-separated list of task_ids to query on - name: _page in: query type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page in: query type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip in: query type: integer description: Number of entries to skip in the search. - name: _limit in: query type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: _sort_fields in: query type: string description: Comma delimited fields to sort with. Prefixing '-' to a field will force a sort in descending order. - name: _fields in: query type: string description: 'Fields to project from MoleculesDoc as a list of comma separated strings. Fields include: `elements` `nelements` `EA` `IE` `charge` `pointgroup` `smiles` `task_' - name: _all_fields in: query type: boolean description: Include all fields. outputRawFormat: json outputParameters: - name: result type: object value: $. - name: defects-tasks path: /defects/tasks/ operations: - name: search-defects-tasks-get method: GET description: Get DefectTaskDoc documents inputParameters: - name: formula in: query type: string description: Query by formula including anonymized formula or by including wild cards. A comma delimited string list of anonymous formulas or regular formulas can also be pr - name: chemsys in: query type: string description: A comma delimited string list of chemical systems. Wildcards for unknown elements only supported for single chemsys queries - name: elements in: query type: string description: Query by elements in the material composition as a comma-separated list - name: exclude_elements in: query type: string description: Query by excluded elements in the material composition as a comma-separated list - name: task_ids in: query type: string description: Comma-separated list of task_ids to query on - name: last_updated_min in: query type: string description: Minimum last updated UTC datetime - name: last_updated_max in: query type: string description: Maximum last updated UTC datetime - name: _page in: query type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page in: query type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip in: query type: integer description: Number of entries to skip in the search. - name: _limit in: query type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: _fields in: query type: string description: 'Fields to project from DefectTaskDoc as a list of comma separated strings. Fields include: `nsites` `elements` `nelements` `composition` `composition_reduced` `' - name: _all_fields in: query type: boolean description: Include all fields. outputRawFormat: json outputParameters: - name: result type: object value: $. exposes: - type: rest port: 8080 namespace: materials-project-rest description: REST adapter for Materials Project API. resources: - path: /doi/ name: search-doi-get operations: - method: GET name: search-doi-get description: Get DOIDoc documents call: materials-project.search-doi-get outputParameters: - type: object mapping: $. - path: /materials/core/blessed_tasks/ name: search-materials-core-blessed-tasks-get operations: - method: GET name: search-materials-core-blessed-tasks-get description: Get MaterialsDoc documents call: materials-project.search-materials-core-blessed-tasks-get outputParameters: - type: object mapping: $. - path: /materials/core/find_structure/ name: search-materials-core-find-structure-post operations: - method: POST name: search-materials-core-find-structure-post description: Post FindStructure documents call: materials-project.search-materials-core-find-structure-post outputParameters: - type: object mapping: $. - path: /materials/core/formula_autocomplete/ name: search-materials-core-formula-autocomplete-get operations: - method: GET name: search-materials-core-formula-autocomplete-get description: Get FormulaAutocomplete documents call: materials-project.search-materials-core-formula-autocomplete-get outputParameters: - type: object mapping: $. - path: /materials/core/ name: search-materials-core-get operations: - method: GET name: search-materials-core-get description: Get MaterialsDoc documents call: materials-project.search-materials-core-get outputParameters: - type: object mapping: $. - path: /materials/absorption/ name: search-materials-absorption-get operations: - method: GET name: search-materials-absorption-get description: Get AbsorptionDoc documents call: materials-project.search-materials-absorption-get outputParameters: - type: object mapping: $. - path: /materials/bonds/ name: search-materials-bonds-get operations: - method: GET name: search-materials-bonds-get description: Get BondingDoc documents call: materials-project.search-materials-bonds-get outputParameters: - type: object mapping: $. - path: /materials/chemenv/ name: search-materials-chemenv-get operations: - method: GET name: search-materials-chemenv-get description: Get ChemEnvDoc documents call: materials-project.search-materials-chemenv-get outputParameters: - type: object mapping: $. - path: /materials/tasks/trajectory/ name: search-materials-tasks-trajectory-get operations: - method: GET name: search-materials-tasks-trajectory-get description: Get TrajectoryDoc documents call: materials-project.search-materials-tasks-trajectory-get outputParameters: - type: object mapping: $. - path: /materials/tasks/entries/ name: search-materials-tasks-entries-get operations: - method: GET name: search-materials-tasks-entries-get description: Get EntryDoc documents call: materials-project.search-materials-tasks-entries-get outputParameters: - type: object mapping: $. - path: /materials/tasks/deprecation/ name: search-materials-tasks-deprecation-get operations: - method: GET name: search-materials-tasks-deprecation-get description: Get DeprecationDoc documents call: materials-project.search-materials-tasks-deprecation-get outputParameters: - type: object mapping: $. - path: /materials/tasks/ name: search-materials-tasks-get operations: - method: GET name: search-materials-tasks-get description: Get TaskDoc documents call: materials-project.search-materials-tasks-get outputParameters: - type: object mapping: $. - path: /materials/thermo/ name: search-materials-thermo-get operations: - method: GET name: search-materials-thermo-get description: Get ThermoDoc documents call: materials-project.search-materials-thermo-get outputParameters: - type: object mapping: $. - path: /materials/dielectric/ name: search-materials-dielectric-get operations: - method: GET name: search-materials-dielectric-get description: Get DielectricDoc documents call: materials-project.search-materials-dielectric-get outputParameters: - type: object mapping: $. - path: /materials/piezoelectric/ name: search-materials-piezoelectric-get operations: - method: GET name: search-materials-piezoelectric-get description: Get PiezoelectricDoc documents call: materials-project.search-materials-piezoelectric-get outputParameters: - type: object mapping: $. - path: /materials/magnetism/ name: search-materials-magnetism-get operations: - method: GET name: search-materials-magnetism-get description: Get MagnetismDoc documents call: materials-project.search-materials-magnetism-get outputParameters: - type: object mapping: $. - path: /materials/phonon/ name: search-materials-phonon-get operations: - method: GET name: search-materials-phonon-get description: Get PhononBSDOSDoc documents call: materials-project.search-materials-phonon-get outputParameters: - type: object mapping: $. - path: /materials/eos/ name: search-materials-eos-get operations: - method: GET name: search-materials-eos-get description: Get EOSDoc documents call: materials-project.search-materials-eos-get outputParameters: - type: object mapping: $. - path: /materials/similarity/ name: search-materials-similarity-get operations: - method: GET name: search-materials-similarity-get description: Get SimilarityDoc documents call: materials-project.search-materials-similarity-get outputParameters: - type: object mapping: $. - path: /materials/similarity/match/ name: search-materials-similarity-match-get operations: - method: GET name: search-materials-similarity-match-get description: Get SimilarityDoc documents call: materials-project.search-materials-similarity-match-get outputParameters: - type: object mapping: $. - path: /materials/xas/ name: search-materials-xas-get operations: - method: GET name: search-materials-xas-get description: Get XASDoc documents call: materials-project.search-materials-xas-get outputParameters: - type: object mapping: $. - path: /materials/grain_boundaries/ name: search-materials-grain-boundaries-get operations: - method: GET name: search-materials-grain-boundaries-get description: Get GrainBoundaryDoc documents call: materials-project.search-materials-grain-boundaries-get outputParameters: - type: object mapping: $. - path: /materials/fermi/ name: search-materials-fermi-get operations: - method: GET name: search-materials-fermi-get description: Get FermiDoc documents call: materials-project.search-materials-fermi-get outputParameters: - type: object mapping: $. - path: /materials/elasticity/ name: search-materials-elasticity-get operations: - method: GET name: search-materials-elasticity-get description: Get ElasticityDoc documents call: materials-project.search-materials-elasticity-get outputParameters: - type: object mapping: $. - path: /materials/substrates/ name: search-materials-substrates-get operations: - method: GET name: search-materials-substrates-get description: Get SubstratesDoc documents call: materials-project.search-materials-substrates-get outputParameters: - type: object mapping: $. - path: /materials/surface_properties/ name: search-materials-surface-properties-get operations: - method: GET name: search-materials-surface-properties-get description: Get SurfacePropDoc documents call: materials-project.search-materials-surface-properties-get outputParameters: - type: object mapping: $. - path: /materials/robocrys/text_search/ name: search-materials-robocrys-text-search-get operations: - method: GET name: search-materials-robocrys-text-search-get description: Get RobocrystallogapherDoc documents call: materials-project.search-materials-robocrys-text-search-get outputParameters: - type: object mapping: $. - path: /materials/robocrys/ name: search-materials-robocrys-get operations: - method: GET name: search-materials-robocrys-get description: Get RobocrystallogapherDoc documents call: materials-project.search-materials-robocrys-get outputParameters: - type: object mapping: $. - path: /materials/synthesis/ name: search-materials-synthesis-get operations: - method: GET name: search-materials-synthesis-get description: Get SynthesisSearchResultModel documents call: materials-project.search-materials-synthesis-get outputParameters: - type: object mapping: $. - path: /materials/insertion_electrodes/ name: search-materials-insertion-electrodes-get operations: - method: GET name: search-materials-insertion-electrodes-get description: Get InsertionElectrodeDoc documents call: materials-project.search-materials-insertion-electrodes-get outputParameters: - type: object mapping: $. - path: /materials/conversion_electrodes/ name: search-materials-conversion-electrodes-get operations: - method: GET name: search-materials-conversion-electrodes-get description: Get ConversionElectrodeDoc documents call: materials-project.search-materials-conversion-electrodes-get outputParameters: - type: object mapping: $. - path: /materials/oxidation_states/ name: search-materials-oxidation-states-get operations: - method: GET name: search-materials-oxidation-states-get description: Get OxidationStateDoc documents call: materials-project.search-materials-oxidation-states-get outputParameters: - type: object mapping: $. - path: /materials/alloys/ name: search-materials-alloys-get operations: - method: GET name: search-materials-alloys-get description: Get AlloyPairDoc documents call: materials-project.search-materials-alloys-get outputParameters: - type: object mapping: $. - path: /materials/provenance/ name: search-materials-provenance-get operations: - method: GET name: search-materials-provenance-get description: Get ProvenanceDoc documents call: materials-project.search-materials-provenance-get outputParameters: - type: object mapping: $. - path: /materials/summary/ name: search-materials-summary-get operations: - method: GET name: search-materials-summary-get description: Get SummaryDoc documents call: materials-project.search-materials-summary-get outputParameters: - type: object mapping: $. - path: /materials/electronic_structure/bandstructure/ name: search-materials-electronic-structure-bandstruct operations: - method: GET name: search-materials-electronic-structure-bandstruct description: Get ElectronicStructureDoc documents call: materials-project.search-materials-electronic-structure-bandstruct outputParameters: - type: object mapping: $. - path: /materials/electronic_structure/dos/ name: search-materials-electronic-structure-dos-get operations: - method: GET name: search-materials-electronic-structure-dos-get description: Get ElectronicStructureDoc documents call: materials-project.search-materials-electronic-structure-dos-get outputParameters: - type: object mapping: $. - path: /materials/electronic_structure/ name: search-materials-electronic-structure-get operations: - method: GET name: search-materials-electronic-structure-get description: Get ElectronicStructureDoc documents call: materials-project.search-materials-electronic-structure-get outputParameters: - type: object mapping: $. - path: /molecules/summary/ name: search-molecules-summary-get operations: - method: GET name: search-molecules-summary-get description: Get MoleculeSummaryDoc documents call: materials-project.search-molecules-summary-get outputParameters: - type: object mapping: $. - path: /molecules/jcesr/ name: search-molecules-jcesr-get operations: - method: GET name: search-molecules-jcesr-get description: Get MoleculesDoc documents call: materials-project.search-molecules-jcesr-get outputParameters: - type: object mapping: $. - path: /defects/tasks/ name: search-defects-tasks-get operations: - method: GET name: search-defects-tasks-get description: Get DefectTaskDoc documents call: materials-project.search-defects-tasks-get outputParameters: - type: object mapping: $. - type: mcp port: 9090 namespace: materials-project-mcp transport: http description: MCP adapter for Materials Project API for AI agent use. tools: - name: search-doi-get description: Get DOIDoc documents hints: readOnly: true destructive: false idempotent: true call: materials-project.search-doi-get with: material_ids: tools.material_ids _page: tools._page _per_page: tools._per_page _skip: tools._skip _limit: tools._limit _fields: tools._fields _all_fields: tools._all_fields inputParameters: - name: material_ids type: string description: Comma-separated list of material_id values to query on - name: _page type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip type: integer description: Number of entries to skip in the search. - name: _limit type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: _fields type: string description: 'Fields to project from DOIDoc as a list of comma separated strings. Fields include: `doi` `bibtex` `material_id`' - name: _all_fields type: boolean description: Include all fields. outputParameters: - type: object mapping: $. - name: search-materials-core-blessed-tasks-get description: Get MaterialsDoc documents hints: readOnly: true destructive: false idempotent: true call: materials-project.search-materials-core-blessed-tasks-get with: run_type: tools.run_type energy_min: tools.energy_min energy_max: tools.energy_max material_ids: tools.material_ids formula: tools.formula chemsys: tools.chemsys elements: tools.elements exclude_elements: tools.exclude_elements task_ids: tools.task_ids deprecated: tools.deprecated nsites_max: tools.nsites_max nsites_min: tools.nsites_min nsites: tools.nsites nsites_not_eq: tools.nsites_not_eq nsites_eq_any: tools.nsites_eq_any nsites_neq_any: tools.nsites_neq_any nelements_max: tools.nelements_max nelements_min: tools.nelements_min nelements: tools.nelements nelements_not_eq: tools.nelements_not_eq nelements_eq_any: tools.nelements_eq_any nelements_neq_any: tools.nelements_neq_any volume_max: tools.volume_max volume_min: tools.volume_min density_max: tools.density_max density_min: tools.density_min density_atomic_max: tools.density_atomic_max density_atomic_min: tools.density_atomic_min _page: tools._page _per_page: tools._per_page _skip: tools._skip _limit: tools._limit license: tools.license _fields: tools._fields _all_fields: tools._all_fields inputParameters: - name: run_type type: string description: Calculation run type of blessed task data required: true - name: energy_min type: string description: Minimum total uncorrected DFT energy in eV/atom - name: energy_max type: string description: Maximum total uncorrected DFT energy in eV/atom - name: material_ids type: string description: Comma-separated list of material_id values to query on - name: formula type: string description: Query by formula including anonymized formula or by including wild cards. A comma delimited string list of anonymous formulas or regular formulas can also be pr - name: chemsys type: string description: A comma delimited string list of chemical systems. Wildcards for unknown elements only supported for single chemsys queries - name: elements type: string description: Query by elements in the material composition as a comma-separated list - name: exclude_elements type: string description: Query by excluded elements in the material composition as a comma-separated list - name: task_ids type: string description: Comma-separated list of task_ids to query on - name: deprecated type: string description: Whether the material is marked as deprecated - name: nsites_max type: string description: Query for maximum value of nsites - name: nsites_min type: string description: Query for minimum value of nsites - name: nsites type: string description: Query for nsites being equal to an exact value - name: nsites_not_eq type: string description: Query for nsites being not equal to an exact value - name: nsites_eq_any type: string description: Query for nsites being any of these values. Provide a comma separated list. - name: nsites_neq_any type: string description: Query for nsites being not any of these values. Provide a comma separated list. - name: nelements_max type: string description: Query for maximum value of nelements - name: nelements_min type: string description: Query for minimum value of nelements - name: nelements type: string description: Query for nelements being equal to an exact value - name: nelements_not_eq type: string description: Query for nelements being not equal to an exact value - name: nelements_eq_any type: string description: Query for nelements being any of these values. Provide a comma separated list. - name: nelements_neq_any type: string description: Query for nelements being not any of these values. Provide a comma separated list. - name: volume_max type: string description: Query for maximum value of volume - name: volume_min type: string description: Query for minimum value of volume - name: density_max type: string description: Query for maximum value of density - name: density_min type: string description: Query for minimum value of density - name: density_atomic_max type: string description: Query for maximum value of density_atomic - name: density_atomic_min type: string description: Query for minimum value of density_atomic - name: _page type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip type: integer description: Number of entries to skip in the search. - name: _limit type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: license type: string description: Query by license. Can be commercial or non-commercial, or both - name: _fields type: string description: 'Fields to project from MaterialsDoc as a list of comma separated strings. Fields include: `builder_meta` `nsites` `elements` `nelements` `composition` `composit' - name: _all_fields type: boolean description: Include all fields. outputParameters: - type: object mapping: $. - name: search-materials-core-find-structure-post description: Post FindStructure documents hints: readOnly: false destructive: false idempotent: false call: materials-project.search-materials-core-find-structure-post with: ltol: tools.ltol stol: tools.stol angle_tol: tools.angle_tol _limit: tools._limit inputParameters: - name: ltol type: number description: Fractional length tolerance. Default is 0.2. - name: stol type: number description: Site tolerance. Defined as the fraction of the average free length per atom := ( V / Nsites ) ** (1/3). Default is 0.3. - name: angle_tol type: number description: Angle tolerance in degrees. Default is 5 degrees. - name: _limit type: integer description: Maximum number of matches to show. Defaults to 1, only showing the best match. outputParameters: - type: object mapping: $. - name: search-materials-core-formula-autocomplete-get description: Get FormulaAutocomplete documents hints: readOnly: true destructive: false idempotent: true call: materials-project.search-materials-core-formula-autocomplete-get with: formula: tools.formula limit: tools.limit inputParameters: - name: formula type: string description: Human readable chemical formula. required: true - name: limit type: integer description: Maximum number of matches to show. Defaults to 10. outputParameters: - type: object mapping: $. - name: search-materials-core-get description: Get MaterialsDoc documents hints: readOnly: true destructive: false idempotent: true call: materials-project.search-materials-core-get with: material_ids: tools.material_ids formula: tools.formula chemsys: tools.chemsys elements: tools.elements exclude_elements: tools.exclude_elements task_ids: tools.task_ids crystal_system: tools.crystal_system spacegroup_number: tools.spacegroup_number spacegroup_symbol: tools.spacegroup_symbol deprecated: tools.deprecated nsites_max: tools.nsites_max nsites_min: tools.nsites_min nsites: tools.nsites nsites_not_eq: tools.nsites_not_eq nsites_eq_any: tools.nsites_eq_any nsites_neq_any: tools.nsites_neq_any nelements_max: tools.nelements_max nelements_min: tools.nelements_min nelements: tools.nelements nelements_not_eq: tools.nelements_not_eq nelements_eq_any: tools.nelements_eq_any nelements_neq_any: tools.nelements_neq_any volume_max: tools.volume_max volume_min: tools.volume_min density_max: tools.density_max density_min: tools.density_min density_atomic_max: tools.density_atomic_max density_atomic_min: tools.density_atomic_min _page: tools._page _per_page: tools._per_page _skip: tools._skip _limit: tools._limit _fields: tools._fields _all_fields: tools._all_fields license: tools.license batch_id: tools.batch_id batch_id_not_eq: tools.batch_id_not_eq batch_id_eq_any: tools.batch_id_eq_any batch_id_neq_any: tools.batch_id_neq_any inputParameters: - name: material_ids type: string description: Comma-separated list of material_id values to query on - name: formula type: string description: Query by formula including anonymized formula or by including wild cards. A comma delimited string list of anonymous formulas or regular formulas can also be pr - name: chemsys type: string description: A comma delimited string list of chemical systems. Wildcards for unknown elements only supported for single chemsys queries - name: elements type: string description: Query by elements in the material composition as a comma-separated list - name: exclude_elements type: string description: Query by excluded elements in the material composition as a comma-separated list - name: task_ids type: string description: Comma-separated list of task_ids to query on - name: crystal_system type: string description: Crystal system of the material. If a comma-separated string, will query by multiple crystal systems. - name: spacegroup_number type: string description: Space group number of the material. If a comma-separated string, will query by multiple space group numbers. - name: spacegroup_symbol type: string description: Space group symbol of the material. If a comma-separated string, will query by multiple space group numbers. - name: deprecated type: string description: Whether the material is marked as deprecated - name: nsites_max type: string description: Query for maximum value of nsites - name: nsites_min type: string description: Query for minimum value of nsites - name: nsites type: string description: Query for nsites being equal to an exact value - name: nsites_not_eq type: string description: Query for nsites being not equal to an exact value - name: nsites_eq_any type: string description: Query for nsites being any of these values. Provide a comma separated list. - name: nsites_neq_any type: string description: Query for nsites being not any of these values. Provide a comma separated list. - name: nelements_max type: string description: Query for maximum value of nelements - name: nelements_min type: string description: Query for minimum value of nelements - name: nelements type: string description: Query for nelements being equal to an exact value - name: nelements_not_eq type: string description: Query for nelements being not equal to an exact value - name: nelements_eq_any type: string description: Query for nelements being any of these values. Provide a comma separated list. - name: nelements_neq_any type: string description: Query for nelements being not any of these values. Provide a comma separated list. - name: volume_max type: string description: Query for maximum value of volume - name: volume_min type: string description: Query for minimum value of volume - name: density_max type: string description: Query for maximum value of density - name: density_min type: string description: Query for minimum value of density - name: density_atomic_max type: string description: Query for maximum value of density_atomic - name: density_atomic_min type: string description: Query for minimum value of density_atomic - name: _page type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip type: integer description: Number of entries to skip in the search. - name: _limit type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: _fields type: string description: 'Fields to project from MaterialsDoc as a list of comma separated strings. Fields include: `builder_meta` `nsites` `elements` `nelements` `composition` `composit' - name: _all_fields type: boolean description: Include all fields. - name: license type: string description: Query by license. Can be commercial or non-commercial, or both - name: batch_id type: string description: Query by batch identifier - name: batch_id_not_eq type: string description: Exclude batch identifier - name: batch_id_eq_any type: string description: Query by a comma-separated list of batch identifiers - name: batch_id_neq_any type: string description: Exclude a comma-separated list of batch identifiers outputParameters: - type: object mapping: $. - name: search-materials-absorption-get description: Get AbsorptionDoc documents hints: readOnly: true destructive: false idempotent: true call: materials-project.search-materials-absorption-get with: material_ids: tools.material_ids nsites_max: tools.nsites_max nsites_min: tools.nsites_min nsites: tools.nsites nsites_not_eq: tools.nsites_not_eq nsites_eq_any: tools.nsites_eq_any nsites_neq_any: tools.nsites_neq_any nelements_max: tools.nelements_max nelements_min: tools.nelements_min nelements: tools.nelements nelements_not_eq: tools.nelements_not_eq nelements_eq_any: tools.nelements_eq_any nelements_neq_any: tools.nelements_neq_any volume_max: tools.volume_max volume_min: tools.volume_min density_max: tools.density_max density_min: tools.density_min density_atomic_max: tools.density_atomic_max density_atomic_min: tools.density_atomic_min bandgap_max: tools.bandgap_max bandgap_min: tools.bandgap_min _page: tools._page _per_page: tools._per_page _skip: tools._skip _limit: tools._limit _fields: tools._fields _all_fields: tools._all_fields inputParameters: - name: material_ids type: string description: Comma-separated list of material_id values to query on - name: nsites_max type: string description: Query for maximum value of nsites - name: nsites_min type: string description: Query for minimum value of nsites - name: nsites type: string description: Query for nsites being equal to an exact value - name: nsites_not_eq type: string description: Query for nsites being not equal to an exact value - name: nsites_eq_any type: string description: Query for nsites being any of these values. Provide a comma separated list. - name: nsites_neq_any type: string description: Query for nsites being not any of these values. Provide a comma separated list. - name: nelements_max type: string description: Query for maximum value of nelements - name: nelements_min type: string description: Query for minimum value of nelements - name: nelements type: string description: Query for nelements being equal to an exact value - name: nelements_not_eq type: string description: Query for nelements being not equal to an exact value - name: nelements_eq_any type: string description: Query for nelements being any of these values. Provide a comma separated list. - name: nelements_neq_any type: string description: Query for nelements being not any of these values. Provide a comma separated list. - name: volume_max type: string description: Query for maximum value of volume - name: volume_min type: string description: Query for minimum value of volume - name: density_max type: string description: Query for maximum value of density - name: density_min type: string description: Query for minimum value of density - name: density_atomic_max type: string description: Query for maximum value of density_atomic - name: density_atomic_min type: string description: Query for minimum value of density_atomic - name: bandgap_max type: string description: Query for maximum value of bandgap - name: bandgap_min type: string description: Query for minimum value of bandgap - name: _page type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip type: integer description: Number of entries to skip in the search. - name: _limit type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: _fields type: string description: 'Fields to project from AbsorptionDoc as a list of comma separated strings. Fields include: `builder_meta` `nsites` `elements` `nelements` `composition` `composi' - name: _all_fields type: boolean description: Include all fields. outputParameters: - type: object mapping: $. - name: search-materials-bonds-get description: Get BondingDoc documents hints: readOnly: true destructive: false idempotent: true call: materials-project.search-materials-bonds-get with: material_ids: tools.material_ids max_bond_length_max: tools.max_bond_length_max max_bond_length_min: tools.max_bond_length_min min_bond_length_max: tools.min_bond_length_max min_bond_length_min: tools.min_bond_length_min mean_bond_length_max: tools.mean_bond_length_max mean_bond_length_min: tools.mean_bond_length_min coordination_envs: tools.coordination_envs coordination_envs_anonymous: tools.coordination_envs_anonymous _page: tools._page _per_page: tools._per_page _skip: tools._skip _limit: tools._limit _fields: tools._fields _all_fields: tools._all_fields inputParameters: - name: material_ids type: string description: Comma-separated list of material_id values to query on - name: max_bond_length_max type: string description: Maximum value for the maximum bond length in the structure. - name: max_bond_length_min type: string description: Minimum value for the maximum bond length in the structure. - name: min_bond_length_max type: string description: Maximum value for the minimum bond length in the structure. - name: min_bond_length_min type: string description: Minimum value for the minimum bond length in the structure. - name: mean_bond_length_max type: string description: Maximum value for the mean bond length in the structure. - name: mean_bond_length_min type: string description: Minimum value for the mean bond length in the structure. - name: coordination_envs type: string description: Query by coordination environments in the material composition as a comma-separated list (e.g. 'Mo-S(6),S-Mo(3)') - name: coordination_envs_anonymous type: string description: Query by anonymous coordination environments in the material composition as a comma-separated list (e.g. 'A-B(6),A-B(3)') - name: _page type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip type: integer description: Number of entries to skip in the search. - name: _limit type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: _fields type: string description: 'Fields to project from BondingDoc as a list of comma separated strings. Fields include: `builder_meta` `nsites` `elements` `nelements` `composition` `compositio' - name: _all_fields type: boolean description: Include all fields. outputParameters: - type: object mapping: $. - name: search-materials-chemenv-get description: Get ChemEnvDoc documents hints: readOnly: true destructive: false idempotent: true call: materials-project.search-materials-chemenv-get with: material_ids: tools.material_ids chemenv_iucr: tools.chemenv_iucr chemenv_iupac: tools.chemenv_iupac chemenv_name: tools.chemenv_name chemenv_symbol: tools.chemenv_symbol species: tools.species csm_min: tools.csm_min csm_max: tools.csm_max elements: tools.elements exclude_elements: tools.exclude_elements nsites_max: tools.nsites_max nsites_min: tools.nsites_min nsites: tools.nsites nsites_not_eq: tools.nsites_not_eq nsites_eq_any: tools.nsites_eq_any nsites_neq_any: tools.nsites_neq_any nelements_max: tools.nelements_max nelements_min: tools.nelements_min nelements: tools.nelements nelements_not_eq: tools.nelements_not_eq nelements_eq_any: tools.nelements_eq_any nelements_neq_any: tools.nelements_neq_any volume_max: tools.volume_max volume_min: tools.volume_min density_max: tools.density_max density_min: tools.density_min density_atomic_max: tools.density_atomic_max density_atomic_min: tools.density_atomic_min _page: tools._page _per_page: tools._per_page _skip: tools._skip _limit: tools._limit _fields: tools._fields _all_fields: tools._all_fields inputParameters: - name: material_ids type: string description: Comma-separated list of material_id values to query on - name: chemenv_iucr type: string description: A comma delimited string list of unique (cationic) species in IUCR format. - name: chemenv_iupac type: string description: A comma delimited string list of unique (cationic) species in IUPAC format. - name: chemenv_name type: string description: A comma delimited string list of coordination environment descriptions for unique (cationic) species. - name: chemenv_symbol type: string description: A comma delimited string list of ChemEnv symbols for unique (cationic) species in the structure. - name: species type: string description: A comma delimited string list of unique (cationic) species in the structure. - name: csm_min type: string description: Minimum value of the continous symmetry measure for any site. - name: csm_max type: string description: Maximum value of the continous symmetry measure for any site. - name: elements type: string description: Query by elements in the material composition as a comma-separated list - name: exclude_elements type: string description: Query by excluded elements in the material composition as a comma-separated list - name: nsites_max type: string description: Query for maximum value of nsites - name: nsites_min type: string description: Query for minimum value of nsites - name: nsites type: string description: Query for nsites being equal to an exact value - name: nsites_not_eq type: string description: Query for nsites being not equal to an exact value - name: nsites_eq_any type: string description: Query for nsites being any of these values. Provide a comma separated list. - name: nsites_neq_any type: string description: Query for nsites being not any of these values. Provide a comma separated list. - name: nelements_max type: string description: Query for maximum value of nelements - name: nelements_min type: string description: Query for minimum value of nelements - name: nelements type: string description: Query for nelements being equal to an exact value - name: nelements_not_eq type: string description: Query for nelements being not equal to an exact value - name: nelements_eq_any type: string description: Query for nelements being any of these values. Provide a comma separated list. - name: nelements_neq_any type: string description: Query for nelements being not any of these values. Provide a comma separated list. - name: volume_max type: string description: Query for maximum value of volume - name: volume_min type: string description: Query for minimum value of volume - name: density_max type: string description: Query for maximum value of density - name: density_min type: string description: Query for minimum value of density - name: density_atomic_max type: string description: Query for maximum value of density_atomic - name: density_atomic_min type: string description: Query for minimum value of density_atomic - name: _page type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip type: integer description: Number of entries to skip in the search. - name: _limit type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: _fields type: string description: 'Fields to project from ChemEnvDoc as a list of comma separated strings. Fields include: `builder_meta` `nsites` `elements` `nelements` `composition` `compositio' - name: _all_fields type: boolean description: Include all fields. outputParameters: - type: object mapping: $. - name: search-materials-tasks-trajectory-get description: Get TrajectoryDoc documents hints: readOnly: true destructive: false idempotent: true call: materials-project.search-materials-tasks-trajectory-get with: task_ids: tools.task_ids _page: tools._page _per_page: tools._per_page _skip: tools._skip _limit: tools._limit inputParameters: - name: task_ids type: string description: Comma-separated list of task_ids to query on - name: _page type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip type: integer description: Number of entries to skip in the search. - name: _limit type: integer description: Max number of entries to return in a single query. Limited to 1000. outputParameters: - type: object mapping: $. - name: search-materials-tasks-entries-get description: Get EntryDoc documents hints: readOnly: true destructive: false idempotent: true call: materials-project.search-materials-tasks-entries-get with: task_ids: tools.task_ids _page: tools._page _per_page: tools._per_page _skip: tools._skip _limit: tools._limit inputParameters: - name: task_ids type: string description: Comma-separated list of task_ids to query on - name: _page type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip type: integer description: Number of entries to skip in the search. - name: _limit type: integer description: Max number of entries to return in a single query. Limited to 1000. outputParameters: - type: object mapping: $. - name: search-materials-tasks-deprecation-get description: Get DeprecationDoc documents hints: readOnly: true destructive: false idempotent: true call: materials-project.search-materials-tasks-deprecation-get with: task_ids: tools.task_ids _page: tools._page _per_page: tools._per_page _skip: tools._skip _limit: tools._limit inputParameters: - name: task_ids type: string description: Comma-separated list of task_ids to query on required: true - name: _page type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip type: integer description: Number of entries to skip in the search. - name: _limit type: integer description: Max number of entries to return in a single query. Limited to 1000. outputParameters: - type: object mapping: $. - name: search-materials-tasks-get description: Get TaskDoc documents hints: readOnly: true destructive: false idempotent: true call: materials-project.search-materials-tasks-get with: batch_id: tools.batch_id batch_id_not_eq: tools.batch_id_not_eq batch_id_eq_any: tools.batch_id_eq_any batch_id_neq_any: tools.batch_id_neq_any formula: tools.formula elements: tools.elements exclude_elements: tools.exclude_elements task_ids: tools.task_ids last_updated_min: tools.last_updated_min last_updated_max: tools.last_updated_max _forward: tools._forward _pagination_token: tools._pagination_token _skip: tools._skip _limit: tools._limit _fields: tools._fields _all_fields: tools._all_fields inputParameters: - name: batch_id type: string description: Query by batch identifier - name: batch_id_not_eq type: string description: Exclude batch identifier - name: batch_id_eq_any type: string description: Query by a comma-separated list of batch identifiers - name: batch_id_neq_any type: string description: Exclude a comma-separated list of batch identifiers - name: formula type: string description: Query by formula including anonymized formula or by including wild cards. A comma delimited string list of anonymous formulas or regular formulas can also be pr - name: elements type: string description: Query by elements in the material composition as a comma-separated list - name: exclude_elements type: string description: Query by excluded elements in the material composition as a comma-separated list - name: task_ids type: string description: Comma-separated list of task_ids to query on - name: last_updated_min type: string description: Minimum last updated UTC datetime - name: last_updated_max type: string description: Maximum last updated UTC datetime - name: _forward type: boolean description: Whether to page forward (True) or backward (False) in the search results. - name: _pagination_token type: string description: Pagination token for the next set of results. - name: _skip type: integer description: Number of entries to skip in the search. - name: _limit type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: _fields type: string description: 'Fields to project from TaskDoc as a list of comma separated strings. Fields include: `nsites` `elements` `nelements` `composition` `composition_reduced` `formul' - name: _all_fields type: boolean description: Include all fields. outputParameters: - type: object mapping: $. - name: search-materials-thermo-get description: Get ThermoDoc documents hints: readOnly: true destructive: false idempotent: true call: materials-project.search-materials-thermo-get with: thermo_ids: tools.thermo_ids material_ids: tools.material_ids thermo_types: tools.thermo_types formula: tools.formula chemsys: tools.chemsys is_stable: tools.is_stable nsites_max: tools.nsites_max nsites_min: tools.nsites_min nsites: tools.nsites nsites_not_eq: tools.nsites_not_eq nsites_eq_any: tools.nsites_eq_any nsites_neq_any: tools.nsites_neq_any nelements_max: tools.nelements_max nelements_min: tools.nelements_min nelements: tools.nelements nelements_not_eq: tools.nelements_not_eq nelements_eq_any: tools.nelements_eq_any nelements_neq_any: tools.nelements_neq_any volume_max: tools.volume_max volume_min: tools.volume_min density_max: tools.density_max density_min: tools.density_min density_atomic_max: tools.density_atomic_max density_atomic_min: tools.density_atomic_min uncorrected_energy_per_atom_max: tools.uncorrected_energy_per_atom_max uncorrected_energy_per_atom_min: tools.uncorrected_energy_per_atom_min energy_per_atom_max: tools.energy_per_atom_max energy_per_atom_min: tools.energy_per_atom_min energy_uncertainy_per_atom_max: tools.energy_uncertainy_per_atom_max energy_uncertainy_per_atom_min: tools.energy_uncertainy_per_atom_min formation_energy_per_atom_max: tools.formation_energy_per_atom_max formation_energy_per_atom_min: tools.formation_energy_per_atom_min energy_above_hull_max: tools.energy_above_hull_max energy_above_hull_min: tools.energy_above_hull_min equilibrium_reaction_energy_per_atom_max: tools.equilibrium_reaction_energy_per_atom_max equilibrium_reaction_energy_per_atom_min: tools.equilibrium_reaction_energy_per_atom_min decomposition_enthalpy_max: tools.decomposition_enthalpy_max decomposition_enthalpy_min: tools.decomposition_enthalpy_min _page: tools._page _per_page: tools._per_page _skip: tools._skip _limit: tools._limit _fields: tools._fields _all_fields: tools._all_fields license: tools.license inputParameters: - name: thermo_ids type: string description: Comma-separated list of thermo_id values to query on - name: material_ids type: string description: Comma-separated list of material_id values to query on - name: thermo_types type: string description: Comma-separated list of thermo_type values to query on - name: formula type: string description: Query by formula including anonymized formula or by including wild cards. A comma delimited string list of anonymous formulas or regular formulas can also be pr - name: chemsys type: string description: A comma delimited string list of chemical systems. Wildcards for unknown elements only supported for single chemsys queries - name: is_stable type: string description: Whether the material is stable. - name: nsites_max type: string description: Query for maximum value of nsites - name: nsites_min type: string description: Query for minimum value of nsites - name: nsites type: string description: Query for nsites being equal to an exact value - name: nsites_not_eq type: string description: Query for nsites being not equal to an exact value - name: nsites_eq_any type: string description: Query for nsites being any of these values. Provide a comma separated list. - name: nsites_neq_any type: string description: Query for nsites being not any of these values. Provide a comma separated list. - name: nelements_max type: string description: Query for maximum value of nelements - name: nelements_min type: string description: Query for minimum value of nelements - name: nelements type: string description: Query for nelements being equal to an exact value - name: nelements_not_eq type: string description: Query for nelements being not equal to an exact value - name: nelements_eq_any type: string description: Query for nelements being any of these values. Provide a comma separated list. - name: nelements_neq_any type: string description: Query for nelements being not any of these values. Provide a comma separated list. - name: volume_max type: string description: Query for maximum value of volume - name: volume_min type: string description: Query for minimum value of volume - name: density_max type: string description: Query for maximum value of density - name: density_min type: string description: Query for minimum value of density - name: density_atomic_max type: string description: Query for maximum value of density_atomic - name: density_atomic_min type: string description: Query for minimum value of density_atomic - name: uncorrected_energy_per_atom_max type: number description: Query for maximum value of uncorrected_energy_per_atom - name: uncorrected_energy_per_atom_min type: number description: Query for minimum value of uncorrected_energy_per_atom - name: energy_per_atom_max type: number description: Query for maximum value of energy_per_atom - name: energy_per_atom_min type: number description: Query for minimum value of energy_per_atom - name: energy_uncertainy_per_atom_max type: string description: Query for maximum value of energy_uncertainy_per_atom - name: energy_uncertainy_per_atom_min type: string description: Query for minimum value of energy_uncertainy_per_atom - name: formation_energy_per_atom_max type: string description: Query for maximum value of formation_energy_per_atom - name: formation_energy_per_atom_min type: string description: Query for minimum value of formation_energy_per_atom - name: energy_above_hull_max type: number description: Query for maximum value of energy_above_hull - name: energy_above_hull_min type: number description: Query for minimum value of energy_above_hull - name: equilibrium_reaction_energy_per_atom_max type: string description: Query for maximum value of equilibrium_reaction_energy_per_atom - name: equilibrium_reaction_energy_per_atom_min type: string description: Query for minimum value of equilibrium_reaction_energy_per_atom - name: decomposition_enthalpy_max type: string description: Query for maximum value of decomposition_enthalpy - name: decomposition_enthalpy_min type: string description: Query for minimum value of decomposition_enthalpy - name: _page type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip type: integer description: Number of entries to skip in the search. - name: _limit type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: _fields type: string description: 'Fields to project from ThermoDoc as a list of comma separated strings. Fields include: `builder_meta` `nsites` `elements` `nelements` `composition` `composition' - name: _all_fields type: boolean description: Include all fields. - name: license type: string description: Query by license. Can be commercial or non-commercial, or both outputParameters: - type: object mapping: $. - name: search-materials-dielectric-get description: Get DielectricDoc documents hints: readOnly: true destructive: false idempotent: true call: materials-project.search-materials-dielectric-get with: material_ids: tools.material_ids e_total_max: tools.e_total_max e_total_min: tools.e_total_min e_ionic_max: tools.e_ionic_max e_ionic_min: tools.e_ionic_min e_electronic_max: tools.e_electronic_max e_electronic_min: tools.e_electronic_min n_max: tools.n_max n_min: tools.n_min _page: tools._page _per_page: tools._per_page _skip: tools._skip _limit: tools._limit _fields: tools._fields _all_fields: tools._all_fields inputParameters: - name: material_ids type: string description: Comma-separated list of material_id values to query on - name: e_total_max type: string description: Maximum value for the total dielectric constant. - name: e_total_min type: string description: Minimum value for the total dielectric constant. - name: e_ionic_max type: string description: Maximum value for the ionic dielectric constant. - name: e_ionic_min type: string description: Minimum value for the ionic dielectric constant. - name: e_electronic_max type: string description: Maximum value for the electronic dielectric constant. - name: e_electronic_min type: string description: Minimum value for the electronic dielectric constant. - name: n_max type: string description: Maximum value for the refractive index. - name: n_min type: string description: Minimum value for the refractive index. - name: _page type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip type: integer description: Number of entries to skip in the search. - name: _limit type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: _fields type: string description: 'Fields to project from DielectricDoc as a list of comma separated strings. Fields include: `builder_meta` `nsites` `elements` `nelements` `composition` `composi' - name: _all_fields type: boolean description: Include all fields. outputParameters: - type: object mapping: $. - name: search-materials-piezoelectric-get description: Get PiezoelectricDoc documents hints: readOnly: true destructive: false idempotent: true call: materials-project.search-materials-piezoelectric-get with: material_ids: tools.material_ids piezo_modulus_max: tools.piezo_modulus_max piezo_modulus_min: tools.piezo_modulus_min _page: tools._page _per_page: tools._per_page _skip: tools._skip _limit: tools._limit _fields: tools._fields _all_fields: tools._all_fields inputParameters: - name: material_ids type: string description: Comma-separated list of material_id values to query on - name: piezo_modulus_max type: string description: Maximum value for the piezoelectric modulus in C/m². - name: piezo_modulus_min type: string description: Minimum value for the piezoelectric modulus in C/m². - name: _page type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip type: integer description: Number of entries to skip in the search. - name: _limit type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: _fields type: string description: 'Fields to project from PiezoelectricDoc as a list of comma separated strings. Fields include: `builder_meta` `nsites` `elements` `nelements` `composition` `comp' - name: _all_fields type: boolean description: Include all fields. outputParameters: - type: object mapping: $. - name: search-materials-magnetism-get description: Get MagnetismDoc documents hints: readOnly: true destructive: false idempotent: true call: materials-project.search-materials-magnetism-get with: material_ids: tools.material_ids ordering: tools.ordering total_magnetization_max: tools.total_magnetization_max total_magnetization_min: tools.total_magnetization_min total_magnetization_normalized_vol_max: tools.total_magnetization_normalized_vol_max total_magnetization_normalized_vol_min: tools.total_magnetization_normalized_vol_min total_magnetization_normalized_formula_units_max: tools.total_magnetization_normalized_formula_units_max total_magnetization_normalized_formula_units_min: tools.total_magnetization_normalized_formula_units_min num_magnetic_sites_max: tools.num_magnetic_sites_max num_magnetic_sites_min: tools.num_magnetic_sites_min num_unique_magnetic_sites_max: tools.num_unique_magnetic_sites_max num_unique_magnetic_sites_min: tools.num_unique_magnetic_sites_min _page: tools._page _per_page: tools._per_page _skip: tools._skip _limit: tools._limit _fields: tools._fields _all_fields: tools._all_fields inputParameters: - name: material_ids type: string description: Comma-separated list of material_id values to query on - name: ordering type: string description: Magnetic ordering of the material. - name: total_magnetization_max type: string description: Maximum value for the total magnetization. - name: total_magnetization_min type: string description: Minimum value for the total magnetization. - name: total_magnetization_normalized_vol_max type: string description: Maximum value for the total magnetization normalized with volume. - name: total_magnetization_normalized_vol_min type: string description: Minimum value for the total magnetization normalized with volume. - name: total_magnetization_normalized_formula_units_max type: string description: Maximum value for the total magnetization normalized with formula units. - name: total_magnetization_normalized_formula_units_min type: string description: Minimum value for the total magnetization normalized with formula units. - name: num_magnetic_sites_max type: string description: Maximum value for the total number of magnetic sites. - name: num_magnetic_sites_min type: string description: Minimum value for the total number of magnetic sites. - name: num_unique_magnetic_sites_max type: string description: Maximum value for the total number of unique magnetic sites. - name: num_unique_magnetic_sites_min type: string description: Minimum value for the total number of unique magnetic sites. - name: _page type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip type: integer description: Number of entries to skip in the search. - name: _limit type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: _fields type: string description: 'Fields to project from MagnetismDoc as a list of comma separated strings. Fields include: `builder_meta` `nsites` `elements` `nelements` `composition` `composit' - name: _all_fields type: boolean description: Include all fields. outputParameters: - type: object mapping: $. - name: search-materials-phonon-get description: Get PhononBSDOSDoc documents hints: readOnly: true destructive: false idempotent: true call: materials-project.search-materials-phonon-get with: material_ids: tools.material_ids formula: tools.formula chemsys: tools.chemsys elements: tools.elements exclude_elements: tools.exclude_elements crystal_system: tools.crystal_system spacegroup_number: tools.spacegroup_number spacegroup_symbol: tools.spacegroup_symbol phonon_method: tools.phonon_method nsites_max: tools.nsites_max nsites_min: tools.nsites_min nsites: tools.nsites nsites_not_eq: tools.nsites_not_eq nsites_eq_any: tools.nsites_eq_any nsites_neq_any: tools.nsites_neq_any nelements_max: tools.nelements_max nelements_min: tools.nelements_min nelements: tools.nelements nelements_not_eq: tools.nelements_not_eq nelements_eq_any: tools.nelements_eq_any nelements_neq_any: tools.nelements_neq_any volume_max: tools.volume_max volume_min: tools.volume_min density_max: tools.density_max density_min: tools.density_min density_atomic_max: tools.density_atomic_max density_atomic_min: tools.density_atomic_min total_dft_energy_max: tools.total_dft_energy_max total_dft_energy_min: tools.total_dft_energy_min volume_per_formula_unit_max: tools.volume_per_formula_unit_max volume_per_formula_unit_min: tools.volume_per_formula_unit_min formula_units_max: tools.formula_units_max formula_units_min: tools.formula_units_min formula_units: tools.formula_units formula_units_not_eq: tools.formula_units_not_eq formula_units_eq_any: tools.formula_units_eq_any formula_units_neq_any: tools.formula_units_neq_any _page: tools._page _per_page: tools._per_page _skip: tools._skip _limit: tools._limit _fields: tools._fields _all_fields: tools._all_fields inputParameters: - name: material_ids type: string description: Comma-separated list of material_id values to query on - name: formula type: string description: Query by formula including anonymized formula or by including wild cards. A comma delimited string list of anonymous formulas or regular formulas can also be pr - name: chemsys type: string description: A comma delimited string list of chemical systems. Wildcards for unknown elements only supported for single chemsys queries - name: elements type: string description: Query by elements in the material composition as a comma-separated list - name: exclude_elements type: string description: Query by excluded elements in the material composition as a comma-separated list - name: crystal_system type: string description: Crystal system of the material. If a comma-separated string, will query by multiple crystal systems. - name: spacegroup_number type: string description: Space group number of the material. If a comma-separated string, will query by multiple space group numbers. - name: spacegroup_symbol type: string description: Space group symbol of the material. If a comma-separated string, will query by multiple space group numbers. - name: phonon_method type: string description: Phonon Method to search for - name: nsites_max type: string description: Query for maximum value of nsites - name: nsites_min type: string description: Query for minimum value of nsites - name: nsites type: string description: Query for nsites being equal to an exact value - name: nsites_not_eq type: string description: Query for nsites being not equal to an exact value - name: nsites_eq_any type: string description: Query for nsites being any of these values. Provide a comma separated list. - name: nsites_neq_any type: string description: Query for nsites being not any of these values. Provide a comma separated list. - name: nelements_max type: string description: Query for maximum value of nelements - name: nelements_min type: string description: Query for minimum value of nelements - name: nelements type: string description: Query for nelements being equal to an exact value - name: nelements_not_eq type: string description: Query for nelements being not equal to an exact value - name: nelements_eq_any type: string description: Query for nelements being any of these values. Provide a comma separated list. - name: nelements_neq_any type: string description: Query for nelements being not any of these values. Provide a comma separated list. - name: volume_max type: string description: Query for maximum value of volume - name: volume_min type: string description: Query for minimum value of volume - name: density_max type: string description: Query for maximum value of density - name: density_min type: string description: Query for minimum value of density - name: density_atomic_max type: string description: Query for maximum value of density_atomic - name: density_atomic_min type: string description: Query for minimum value of density_atomic - name: total_dft_energy_max type: string description: Query for maximum value of total_dft_energy - name: total_dft_energy_min type: string description: Query for minimum value of total_dft_energy - name: volume_per_formula_unit_max type: string description: Query for maximum value of volume_per_formula_unit - name: volume_per_formula_unit_min type: string description: Query for minimum value of volume_per_formula_unit - name: formula_units_max type: string description: Query for maximum value of formula_units - name: formula_units_min type: string description: Query for minimum value of formula_units - name: formula_units type: string description: Query for formula_units being equal to an exact value - name: formula_units_not_eq type: string description: Query for formula_units being not equal to an exact value - name: formula_units_eq_any type: string description: Query for formula_units being any of these values. Provide a comma separated list. - name: formula_units_neq_any type: string description: Query for formula_units being not any of these values. Provide a comma separated list. - name: _page type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip type: integer description: Number of entries to skip in the search. - name: _limit type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: _fields type: string description: 'Fields to project from PhononBSDOSDoc as a list of comma separated strings. Fields include: `nsites` `elements` `nelements` `composition` `composition_reduced` ' - name: _all_fields type: boolean description: Include all fields. outputParameters: - type: object mapping: $. - name: search-materials-eos-get description: Get EOSDoc documents hints: readOnly: true destructive: false idempotent: true call: materials-project.search-materials-eos-get with: material_ids: tools.material_ids _page: tools._page _per_page: tools._per_page _skip: tools._skip _limit: tools._limit _fields: tools._fields _all_fields: tools._all_fields inputParameters: - name: material_ids type: string description: Comma-separated list of material_id values to query on - name: _page type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip type: integer description: Number of entries to skip in the search. - name: _limit type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: _fields type: string description: 'Fields to project from EOSDoc as a list of comma separated strings. Fields include: `builder_meta` `nsites` `elements` `nelements` `composition` `composition_re' - name: _all_fields type: boolean description: Include all fields. outputParameters: - type: object mapping: $. - name: search-materials-similarity-get description: Get SimilarityDoc documents hints: readOnly: true destructive: false idempotent: true call: materials-project.search-materials-similarity-get with: material_ids: tools.material_ids _page: tools._page _per_page: tools._per_page _skip: tools._skip _limit: tools._limit _fields: tools._fields _all_fields: tools._all_fields inputParameters: - name: material_ids type: string description: Comma-separated list of material_id values to query on - name: _page type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip type: integer description: Number of entries to skip in the search. - name: _limit type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: _fields type: string description: 'Fields to project from SimilarityDoc as a list of comma separated strings. Fields include: `builder_meta` `nsites` `elements` `nelements` `composition` `composi' - name: _all_fields type: boolean description: Include all fields. outputParameters: - type: object mapping: $. - name: search-materials-similarity-match-get description: Get SimilarityDoc documents hints: readOnly: true destructive: false idempotent: true call: materials-project.search-materials-similarity-match-get with: feature_vector_hex: tools.feature_vector_hex feature_vector_norm: tools.feature_vector_norm method: tools.method _limit: tools._limit inputParameters: - name: feature_vector_hex type: string description: A compressed, hex representation of a row unit vector of floats. required: true - name: feature_vector_norm type: number description: The norm of the feature vector required: true - name: method type: string description: The method used to embed a structure as a feature vector. - name: _limit type: integer description: Max number of entries to return in a single query. Limited to 10 by default outputParameters: - type: object mapping: $. - name: search-materials-xas-get description: Get XASDoc documents hints: readOnly: true destructive: false idempotent: true call: materials-project.search-materials-xas-get with: material_ids: tools.material_ids formula: tools.formula chemsys: tools.chemsys elements: tools.elements exclude_elements: tools.exclude_elements edge: tools.edge spectrum_type: tools.spectrum_type absorbing_element: tools.absorbing_element spectrum_ids: tools.spectrum_ids _page: tools._page _per_page: tools._per_page _skip: tools._skip _limit: tools._limit _fields: tools._fields _all_fields: tools._all_fields _sort_fields: tools._sort_fields inputParameters: - name: material_ids type: string description: Comma-separated list of material_id values to query on - name: formula type: string description: Query by formula including anonymized formula or by including wild cards. A comma delimited string list of anonymous formulas or regular formulas can also be pr - name: chemsys type: string description: A comma delimited string list of chemical systems. Wildcards for unknown elements only supported for single chemsys queries - name: elements type: string description: Query by elements in the material composition as a comma-separated list - name: exclude_elements type: string description: Query by excluded elements in the material composition as a comma-separated list - name: edge type: string description: edge - name: spectrum_type type: string description: spectrum_type - name: absorbing_element type: string description: absorbing_element - name: spectrum_ids type: string description: Comma-separated list of spectrum_id to query on - name: _page type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip type: integer description: Number of entries to skip in the search. - name: _limit type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: _fields type: string description: 'Fields to project from XASDoc as a list of comma separated strings. Fields include: `builder_meta` `nsites` `elements` `nelements` `composition` `composition_re' - name: _all_fields type: boolean description: Include all fields. - name: _sort_fields type: string description: Comma delimited fields to sort with. Prefixing '-' to a field will force a sort in descending order. outputParameters: - type: object mapping: $. - name: search-materials-grain-boundaries-get description: Get GrainBoundaryDoc documents hints: readOnly: true destructive: false idempotent: true call: materials-project.search-materials-grain-boundaries-get with: material_ids: tools.material_ids task_ids: tools.task_ids sigma_max: tools.sigma_max sigma_min: tools.sigma_min sigma: tools.sigma sigma_not_eq: tools.sigma_not_eq sigma_eq_any: tools.sigma_eq_any sigma_neq_any: tools.sigma_neq_any rotation_angle_max: tools.rotation_angle_max rotation_angle_min: tools.rotation_angle_min gb_energy_max: tools.gb_energy_max gb_energy_min: tools.gb_energy_min w_sep_max: tools.w_sep_max w_sep_min: tools.w_sep_min type: tools.type chemsys: tools.chemsys pretty_formula: tools.pretty_formula gb_plane: tools.gb_plane rotation_axis: tools.rotation_axis _page: tools._page _per_page: tools._per_page _skip: tools._skip _limit: tools._limit _fields: tools._fields _all_fields: tools._all_fields inputParameters: - name: material_ids type: string description: Comma-separated list of material_id values to query on - name: task_ids type: string description: Comma-separated list of Materials Project IDs to query on. - name: sigma_max type: string description: Query for maximum value of sigma - name: sigma_min type: string description: Query for minimum value of sigma - name: sigma type: string description: Value of sigma. - name: sigma_not_eq type: string description: Query for sigma being not equal to an exact value - name: sigma_eq_any type: string description: Query for sigma being any of these values. Provide a comma separated list. - name: sigma_neq_any type: string description: Query for sigma being not any of these values. Provide a comma separated list. - name: rotation_angle_max type: string description: Query for maximum value of rotation_angle - name: rotation_angle_min type: string description: Query for minimum value of rotation_angle - name: gb_energy_max type: string description: Query for maximum value of gb_energy - name: gb_energy_min type: string description: Query for minimum value of gb_energy - name: w_sep_max type: string description: Query for maximum value of w_sep - name: w_sep_min type: string description: Query for minimum value of w_sep - name: type type: string description: Grain boundary type. - name: chemsys type: string description: Dash-delimited string of elements in the material. - name: pretty_formula type: string description: Formula of the material. - name: gb_plane type: string description: Miller index of the grain boundary plane as comma delimitd integers. - name: rotation_axis type: string description: Miller index of the rotation axis as comma delimitd integers. - name: _page type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip type: integer description: Number of entries to skip in the search. - name: _limit type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: _fields type: string description: 'Fields to project from GrainBoundaryDoc as a list of comma separated strings. Fields include: `material_id` `sigma` `type` `rotation_axis` `gb_plane` `rotation_' - name: _all_fields type: boolean description: Include all fields. outputParameters: - type: object mapping: $. - name: search-materials-fermi-get description: Get FermiDoc documents hints: readOnly: true destructive: false idempotent: true call: materials-project.search-materials-fermi-get with: material_ids: tools.material_ids _page: tools._page _per_page: tools._per_page _skip: tools._skip _limit: tools._limit _fields: tools._fields _all_fields: tools._all_fields inputParameters: - name: material_ids type: string description: Comma-separated list of material_id values to query on - name: _page type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip type: integer description: Number of entries to skip in the search. - name: _limit type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: _fields type: string description: 'Fields to project from FermiDoc as a list of comma separated strings. Fields include: `fermi_surfaces` `surface_types` `material_id` `last_updated`' - name: _all_fields type: boolean description: Include all fields. outputParameters: - type: object mapping: $. - name: search-materials-elasticity-get description: Get ElasticityDoc documents hints: readOnly: true destructive: false idempotent: true call: materials-project.search-materials-elasticity-get with: material_ids: tools.material_ids chemsys: tools.chemsys k_voigt_max: tools.k_voigt_max k_voigt_min: tools.k_voigt_min k_reuss_max: tools.k_reuss_max k_reuss_min: tools.k_reuss_min k_vrh_max: tools.k_vrh_max k_vrh_min: tools.k_vrh_min g_voigt_max: tools.g_voigt_max g_voigt_min: tools.g_voigt_min g_reuss_max: tools.g_reuss_max g_reuss_min: tools.g_reuss_min g_vrh_max: tools.g_vrh_max g_vrh_min: tools.g_vrh_min elastic_anisotropy_max: tools.elastic_anisotropy_max elastic_anisotropy_min: tools.elastic_anisotropy_min poisson_max: tools.poisson_max poisson_min: tools.poisson_min _page: tools._page _per_page: tools._per_page _skip: tools._skip _limit: tools._limit _fields: tools._fields _all_fields: tools._all_fields inputParameters: - name: material_ids type: string description: Comma-separated list of material_id values to query on - name: chemsys type: string description: A comma delimited string list of chemical systems. - name: k_voigt_max type: string description: Maximum value for the Voigt average of the bulk modulus in GPa. - name: k_voigt_min type: string description: Minimum value for the Voigt average of the bulk modulus in GPa. - name: k_reuss_max type: string description: Maximum value for the Reuss average of the bulk modulus in GPa. - name: k_reuss_min type: string description: Minimum value for the Reuss average of the bulk modulus in GPa. - name: k_vrh_max type: string description: Maximum value for the Voigt-Reuss-Hill average of the bulk modulus in GPa. - name: k_vrh_min type: string description: Minimum value for the Voigt-Reuss-Hill average of the bulk modulus in GPa. - name: g_voigt_max type: string description: Maximum value for the Voigt average of the shear modulus in GPa. - name: g_voigt_min type: string description: Minimum value for the Voigt average of the shear modulus in GPa. - name: g_reuss_max type: string description: Maximum value for the Reuss average of the shear modulus in GPa. - name: g_reuss_min type: string description: Minimum value for the Reuss average of the shear modulus in GPa. - name: g_vrh_max type: string description: Maximum value for the Voigt-Reuss-Hill average of the shear modulus in GPa. - name: g_vrh_min type: string description: Minimum value for the Voigt-Reuss-Hill average of the shear modulus in GPa. - name: elastic_anisotropy_max type: string description: Maximum value for the elastic anisotropy. - name: elastic_anisotropy_min type: string description: Maximum value for the elastic anisotropy. - name: poisson_max type: string description: Maximum value for Poisson's ratio. - name: poisson_min type: string description: Minimum value for Poisson's ratio. - name: _page type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip type: integer description: Number of entries to skip in the search. - name: _limit type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: _fields type: string description: 'Fields to project from ElasticityDoc as a list of comma separated strings. Fields include: `builder_meta` `nsites` `elements` `nelements` `composition` `composi' - name: _all_fields type: boolean description: Include all fields. outputParameters: - type: object mapping: $. - name: search-materials-substrates-get description: Get SubstratesDoc documents hints: readOnly: true destructive: false idempotent: true call: materials-project.search-materials-substrates-get with: film_orientation: tools.film_orientation substrate_orientation: tools.substrate_orientation area_max: tools.area_max area_min: tools.area_min energy_max: tools.energy_max energy_min: tools.energy_min norients_max: tools.norients_max norients_min: tools.norients_min norients: tools.norients norients_not_eq: tools.norients_not_eq norients_eq_any: tools.norients_eq_any norients_neq_any: tools.norients_neq_any sub_form: tools.sub_form sub_form_not_eq: tools.sub_form_not_eq sub_form_eq_any: tools.sub_form_eq_any sub_form_neq_any: tools.sub_form_neq_any sub_id: tools.sub_id sub_id_not_eq: tools.sub_id_not_eq sub_id_eq_any: tools.sub_id_eq_any sub_id_neq_any: tools.sub_id_neq_any film_id: tools.film_id film_id_not_eq: tools.film_id_not_eq film_id_eq_any: tools.film_id_eq_any film_id_neq_any: tools.film_id_neq_any _page: tools._page _per_page: tools._per_page _skip: tools._skip _limit: tools._limit _fields: tools._fields _all_fields: tools._all_fields inputParameters: - name: film_orientation type: string description: Comma separated integers defining the film surface orientation. - name: substrate_orientation type: string description: Comma separated integers defining the substrate surface orientation. - name: area_max type: string description: Query for maximum value of area - name: area_min type: string description: Query for minimum value of area - name: energy_max type: string description: Query for maximum value of energy - name: energy_min type: string description: Query for minimum value of energy - name: norients_max type: string description: Query for maximum value of norients - name: norients_min type: string description: Query for minimum value of norients - name: norients type: string description: Query for norients being equal to an exact value - name: norients_not_eq type: string description: Query for norients being not equal to an exact value - name: norients_eq_any type: string description: Query for norients being any of these values. Provide a comma separated list. - name: norients_neq_any type: string description: Query for norients being not any of these values. Provide a comma separated list. - name: sub_form type: string description: Query for sub_form being equal to a value - name: sub_form_not_eq type: string description: Query for sub_form being not equal to a value - name: sub_form_eq_any type: string description: Query for sub_form being any of these values. Provide a comma separated list. - name: sub_form_neq_any type: string description: Query for sub_form being not any of these values. Provide a comma separated list - name: sub_id type: string description: Query for sub_id being equal to a value - name: sub_id_not_eq type: string description: Query for sub_id being not equal to a value - name: sub_id_eq_any type: string description: Query for sub_id being any of these values. Provide a comma separated list. - name: sub_id_neq_any type: string description: Query for sub_id being not any of these values. Provide a comma separated list - name: film_id type: string description: Query for film_id being equal to a value - name: film_id_not_eq type: string description: Query for film_id being not equal to a value - name: film_id_eq_any type: string description: Query for film_id being any of these values. Provide a comma separated list. - name: film_id_neq_any type: string description: Query for film_id being not any of these values. Provide a comma separated list - name: _page type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip type: integer description: Number of entries to skip in the search. - name: _limit type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: _fields type: string description: 'Fields to project from SubstratesDoc as a list of comma separated strings. Fields include: `sub_form` `sub_id` `film_orient` `area` `energy` `film_id` `norients' - name: _all_fields type: boolean description: Include all fields. outputParameters: - type: object mapping: $. - name: search-materials-surface-properties-get description: Get SurfacePropDoc documents hints: readOnly: true destructive: false idempotent: true call: materials-project.search-materials-surface-properties-get with: material_ids: tools.material_ids weighted_surface_energy_EV_PER_ANG2_max: tools.weighted_surface_energy_EV_PER_ANG2_max weighted_surface_energy_EV_PER_ANG2_min: tools.weighted_surface_energy_EV_PER_ANG2_min weighted_surface_energy_max: tools.weighted_surface_energy_max weighted_surface_energy_min: tools.weighted_surface_energy_min surface_anisotropy_max: tools.surface_anisotropy_max surface_anisotropy_min: tools.surface_anisotropy_min shape_factor_max: tools.shape_factor_max shape_factor_min: tools.shape_factor_min weighted_work_function_max: tools.weighted_work_function_max weighted_work_function_min: tools.weighted_work_function_min has_reconstructed: tools.has_reconstructed _page: tools._page _per_page: tools._per_page _skip: tools._skip _limit: tools._limit _fields: tools._fields _all_fields: tools._all_fields inputParameters: - name: material_ids type: string description: Comma-separated list of material_id values to query on - name: weighted_surface_energy_EV_PER_ANG2_max type: string description: Query for maximum value of weighted_surface_energy_EV_PER_ANG2 - name: weighted_surface_energy_EV_PER_ANG2_min type: string description: Query for minimum value of weighted_surface_energy_EV_PER_ANG2 - name: weighted_surface_energy_max type: string description: Query for maximum value of weighted_surface_energy - name: weighted_surface_energy_min type: string description: Query for minimum value of weighted_surface_energy - name: surface_anisotropy_max type: string description: Query for maximum value of surface_anisotropy - name: surface_anisotropy_min type: string description: Query for minimum value of surface_anisotropy - name: shape_factor_max type: string description: Query for maximum value of shape_factor - name: shape_factor_min type: string description: Query for minimum value of shape_factor - name: weighted_work_function_max type: string description: Query for maximum value of weighted_work_function - name: weighted_work_function_min type: string description: Query for minimum value of weighted_work_function - name: has_reconstructed type: string description: Whether the entry has a reconstructed surface. - name: _page type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip type: integer description: Number of entries to skip in the search. - name: _limit type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: _fields type: string description: 'Fields to project from SurfacePropDoc as a list of comma separated strings. Fields include: `surfaces` `weighted_surface_energy_EV_PER_ANG2` `weighted_surface_e' - name: _all_fields type: boolean description: Include all fields. outputParameters: - type: object mapping: $. - name: search-materials-robocrys-text-search-get description: Get RobocrystallogapherDoc documents hints: readOnly: true destructive: false idempotent: true call: materials-project.search-materials-robocrys-text-search-get with: keywords: tools.keywords _skip: tools._skip _limit: tools._limit inputParameters: - name: keywords type: string description: Comma delimited string keywords to search robocrystallographer description text with required: true - name: _skip type: integer description: Number of entries to skip in the search - name: _limit type: integer description: Max number of entries to return in a single query. Limited to 1000 by default outputParameters: - type: object mapping: $. - name: search-materials-robocrys-get description: Get RobocrystallogapherDoc documents hints: readOnly: true destructive: false idempotent: true call: materials-project.search-materials-robocrys-get with: material_ids: tools.material_ids _page: tools._page _per_page: tools._per_page _skip: tools._skip _limit: tools._limit _fields: tools._fields _all_fields: tools._all_fields inputParameters: - name: material_ids type: string description: Comma-separated list of material_id values to query on - name: _page type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip type: integer description: Number of entries to skip in the search. - name: _limit type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: _fields type: string description: 'Fields to project from RobocrystallogapherDoc as a list of comma separated strings. Fields include: `builder_meta` `nsites` `elements` `nelements` `composition`' - name: _all_fields type: boolean description: Include all fields. outputParameters: - type: object mapping: $. - name: search-materials-synthesis-get description: Get SynthesisSearchResultModel documents hints: readOnly: true destructive: false idempotent: true call: materials-project.search-materials-synthesis-get with: keywords: tools.keywords synthesis_type: tools.synthesis_type target_formula: tools.target_formula precursor_formula: tools.precursor_formula operations: tools.operations condition_heating_temperature_min: tools.condition_heating_temperature_min condition_heating_temperature_max: tools.condition_heating_temperature_max condition_heating_time_min: tools.condition_heating_time_min condition_heating_time_max: tools.condition_heating_time_max condition_heating_atmosphere: tools.condition_heating_atmosphere condition_mixing_device: tools.condition_mixing_device condition_mixing_media: tools.condition_mixing_media _skip: tools._skip _limit: tools._limit inputParameters: - name: keywords type: string description: Comma delimited string keywords to search synthesis paragraph text with. - name: synthesis_type type: string description: Type of synthesis to include. - name: target_formula type: string description: Chemical formula of the target material. - name: precursor_formula type: string description: Chemical formula of the precursor material. - name: operations type: string description: List of operations that syntheses must have. - name: condition_heating_temperature_min type: string description: Minimal heating temperature. - name: condition_heating_temperature_max type: string description: Maximal heating temperature. - name: condition_heating_time_min type: string description: Minimal heating time. - name: condition_heating_time_max type: string description: Maximal heating time. - name: condition_heating_atmosphere type: string description: Required heating atmosphere, such as "air", "argon". - name: condition_mixing_device type: string description: Required mixing device, such as "zirconia", "Al2O3". - name: condition_mixing_media type: string description: Required mixing media, such as "alcohol", "water". - name: _skip type: integer description: Number of entries to skip in the search - name: _limit type: integer description: Max number of entries to return in a single query. Limited to 10. outputParameters: - type: object mapping: $. - name: search-materials-insertion-electrodes-get description: Get InsertionElectrodeDoc documents hints: readOnly: true destructive: false idempotent: true call: materials-project.search-materials-insertion-electrodes-get with: battery_ids: tools.battery_ids formula: tools.formula chemsys: tools.chemsys working_ion: tools.working_ion elements: tools.elements exclude_elements: tools.exclude_elements num_steps_max: tools.num_steps_max num_steps_min: tools.num_steps_min num_steps: tools.num_steps num_steps_not_eq: tools.num_steps_not_eq num_steps_eq_any: tools.num_steps_eq_any num_steps_neq_any: tools.num_steps_neq_any max_voltage_step_max: tools.max_voltage_step_max max_voltage_step_min: tools.max_voltage_step_min nelements_max: tools.nelements_max nelements_min: tools.nelements_min nelements: tools.nelements nelements_not_eq: tools.nelements_not_eq nelements_eq_any: tools.nelements_eq_any nelements_neq_any: tools.nelements_neq_any max_delta_volume_max: tools.max_delta_volume_max max_delta_volume_min: tools.max_delta_volume_min average_voltage_max: tools.average_voltage_max average_voltage_min: tools.average_voltage_min capacity_grav_max: tools.capacity_grav_max capacity_grav_min: tools.capacity_grav_min capacity_vol_max: tools.capacity_vol_max capacity_vol_min: tools.capacity_vol_min energy_grav_max: tools.energy_grav_max energy_grav_min: tools.energy_grav_min energy_vol_max: tools.energy_vol_max energy_vol_min: tools.energy_vol_min fracA_charge_max: tools.fracA_charge_max fracA_charge_min: tools.fracA_charge_min fracA_discharge_max: tools.fracA_discharge_max fracA_discharge_min: tools.fracA_discharge_min stability_charge_max: tools.stability_charge_max stability_charge_min: tools.stability_charge_min stability_discharge_max: tools.stability_discharge_max stability_discharge_min: tools.stability_discharge_min _page: tools._page _per_page: tools._per_page _skip: tools._skip _limit: tools._limit _fields: tools._fields _all_fields: tools._all_fields _sort_fields: tools._sort_fields inputParameters: - name: battery_ids type: string description: Comma-separated list of battery_id values to query on - name: formula type: string description: Query by formula including anonymized formula or by including wild cards. A comma delimited string list of anonymous formulas or regular formulas can also be pr - name: chemsys type: string description: A comma delimited string list of chemical systems. Wildcards for unknown elements only supported for single chemsys queries - name: working_ion type: string description: working_ion - name: elements type: string description: Query by elements in the material composition as a comma-separated list - name: exclude_elements type: string description: Query by excluded elements in the material composition as a comma-separated list - name: num_steps_max type: string description: Query for maximum value of num_steps - name: num_steps_min type: string description: Query for minimum value of num_steps - name: num_steps type: string description: Query for num_steps being equal to an exact value - name: num_steps_not_eq type: string description: Query for num_steps being not equal to an exact value - name: num_steps_eq_any type: string description: Query for num_steps being any of these values. Provide a comma separated list. - name: num_steps_neq_any type: string description: Query for num_steps being not any of these values. Provide a comma separated list. - name: max_voltage_step_max type: string description: Query for maximum value of max_voltage_step - name: max_voltage_step_min type: string description: Query for minimum value of max_voltage_step - name: nelements_max type: string description: Query for maximum value of nelements - name: nelements_min type: string description: Query for minimum value of nelements - name: nelements type: string description: Query for nelements being equal to an exact value - name: nelements_not_eq type: string description: Query for nelements being not equal to an exact value - name: nelements_eq_any type: string description: Query for nelements being any of these values. Provide a comma separated list. - name: nelements_neq_any type: string description: Query for nelements being not any of these values. Provide a comma separated list. - name: max_delta_volume_max type: string description: Query for maximum value of max_delta_volume - name: max_delta_volume_min type: string description: Query for minimum value of max_delta_volume - name: average_voltage_max type: string description: Query for maximum value of average_voltage - name: average_voltage_min type: string description: Query for minimum value of average_voltage - name: capacity_grav_max type: string description: Query for maximum value of capacity_grav - name: capacity_grav_min type: string description: Query for minimum value of capacity_grav - name: capacity_vol_max type: string description: Query for maximum value of capacity_vol - name: capacity_vol_min type: string description: Query for minimum value of capacity_vol - name: energy_grav_max type: string description: Query for maximum value of energy_grav - name: energy_grav_min type: string description: Query for minimum value of energy_grav - name: energy_vol_max type: string description: Query for maximum value of energy_vol - name: energy_vol_min type: string description: Query for minimum value of energy_vol - name: fracA_charge_max type: string description: Query for maximum value of fracA_charge - name: fracA_charge_min type: string description: Query for minimum value of fracA_charge - name: fracA_discharge_max type: string description: Query for maximum value of fracA_discharge - name: fracA_discharge_min type: string description: Query for minimum value of fracA_discharge - name: stability_charge_max type: string description: Query for maximum value of stability_charge - name: stability_charge_min type: string description: Query for minimum value of stability_charge - name: stability_discharge_max type: string description: Query for maximum value of stability_discharge - name: stability_discharge_min type: string description: Query for minimum value of stability_discharge - name: _page type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip type: integer description: Number of entries to skip in the search. - name: _limit type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: _fields type: string description: 'Fields to project from InsertionElectrodeDoc as a list of comma separated strings. Fields include: `builder_meta` `battery_type` `battery_id` `thermo_type` `bat' - name: _all_fields type: boolean description: Include all fields. - name: _sort_fields type: string description: Comma delimited fields to sort with. Prefixing '-' to a field will force a sort in descending order. outputParameters: - type: object mapping: $. - name: search-materials-conversion-electrodes-get description: Get ConversionElectrodeDoc documents hints: readOnly: true destructive: false idempotent: true call: materials-project.search-materials-conversion-electrodes-get with: battery_ids: tools.battery_ids working_ion: tools.working_ion num_steps_max: tools.num_steps_max num_steps_min: tools.num_steps_min num_steps: tools.num_steps num_steps_not_eq: tools.num_steps_not_eq num_steps_eq_any: tools.num_steps_eq_any num_steps_neq_any: tools.num_steps_neq_any max_voltage_step_max: tools.max_voltage_step_max max_voltage_step_min: tools.max_voltage_step_min nelements_max: tools.nelements_max nelements_min: tools.nelements_min nelements: tools.nelements nelements_not_eq: tools.nelements_not_eq nelements_eq_any: tools.nelements_eq_any nelements_neq_any: tools.nelements_neq_any max_delta_volume_max: tools.max_delta_volume_max max_delta_volume_min: tools.max_delta_volume_min average_voltage_max: tools.average_voltage_max average_voltage_min: tools.average_voltage_min capacity_grav_max: tools.capacity_grav_max capacity_grav_min: tools.capacity_grav_min capacity_vol_max: tools.capacity_vol_max capacity_vol_min: tools.capacity_vol_min energy_grav_max: tools.energy_grav_max energy_grav_min: tools.energy_grav_min energy_vol_max: tools.energy_vol_max energy_vol_min: tools.energy_vol_min fracA_charge_max: tools.fracA_charge_max fracA_charge_min: tools.fracA_charge_min fracA_discharge_max: tools.fracA_discharge_max fracA_discharge_min: tools.fracA_discharge_min _page: tools._page _per_page: tools._per_page _skip: tools._skip _limit: tools._limit _fields: tools._fields _all_fields: tools._all_fields inputParameters: - name: battery_ids type: string description: Comma-separated list of battery_id values to query on - name: working_ion type: string description: working_ion - name: num_steps_max type: string description: Query for maximum value of num_steps - name: num_steps_min type: string description: Query for minimum value of num_steps - name: num_steps type: string description: Query for num_steps being equal to an exact value - name: num_steps_not_eq type: string description: Query for num_steps being not equal to an exact value - name: num_steps_eq_any type: string description: Query for num_steps being any of these values. Provide a comma separated list. - name: num_steps_neq_any type: string description: Query for num_steps being not any of these values. Provide a comma separated list. - name: max_voltage_step_max type: string description: Query for maximum value of max_voltage_step - name: max_voltage_step_min type: string description: Query for minimum value of max_voltage_step - name: nelements_max type: string description: Query for maximum value of nelements - name: nelements_min type: string description: Query for minimum value of nelements - name: nelements type: string description: Query for nelements being equal to an exact value - name: nelements_not_eq type: string description: Query for nelements being not equal to an exact value - name: nelements_eq_any type: string description: Query for nelements being any of these values. Provide a comma separated list. - name: nelements_neq_any type: string description: Query for nelements being not any of these values. Provide a comma separated list. - name: max_delta_volume_max type: string description: Query for maximum value of max_delta_volume - name: max_delta_volume_min type: string description: Query for minimum value of max_delta_volume - name: average_voltage_max type: string description: Query for maximum value of average_voltage - name: average_voltage_min type: string description: Query for minimum value of average_voltage - name: capacity_grav_max type: string description: Query for maximum value of capacity_grav - name: capacity_grav_min type: string description: Query for minimum value of capacity_grav - name: capacity_vol_max type: string description: Query for maximum value of capacity_vol - name: capacity_vol_min type: string description: Query for minimum value of capacity_vol - name: energy_grav_max type: string description: Query for maximum value of energy_grav - name: energy_grav_min type: string description: Query for minimum value of energy_grav - name: energy_vol_max type: string description: Query for maximum value of energy_vol - name: energy_vol_min type: string description: Query for minimum value of energy_vol - name: fracA_charge_max type: string description: Query for maximum value of fracA_charge - name: fracA_charge_min type: string description: Query for minimum value of fracA_charge - name: fracA_discharge_max type: string description: Query for maximum value of fracA_discharge - name: fracA_discharge_min type: string description: Query for minimum value of fracA_discharge - name: _page type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip type: integer description: Number of entries to skip in the search. - name: _limit type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: _fields type: string description: 'Fields to project from ConversionElectrodeDoc as a list of comma separated strings. Fields include: `builder_meta` `battery_type` `battery_id` `thermo_type` `ba' - name: _all_fields type: boolean description: Include all fields. outputParameters: - type: object mapping: $. - name: search-materials-oxidation-states-get description: Get OxidationStateDoc documents hints: readOnly: true destructive: false idempotent: true call: materials-project.search-materials-oxidation-states-get with: material_ids: tools.material_ids formula: tools.formula chemsys: tools.chemsys possible_species: tools.possible_species _page: tools._page _per_page: tools._per_page _skip: tools._skip _limit: tools._limit _fields: tools._fields _all_fields: tools._all_fields license: tools.license inputParameters: - name: material_ids type: string description: Comma-separated list of material_id values to query on - name: formula type: string description: Query by formula including anonymized formula or by including wild cards. A comma delimited string list of anonymous formulas or regular formulas can also be pr - name: chemsys type: string description: A comma delimited string list of chemical systems. Wildcards for unknown elements only supported for single chemsys queries - name: possible_species type: string description: Comma delimited list of element symbols appended with oxidation states. (e.g. Cr2+,O2-) - name: _page type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip type: integer description: Number of entries to skip in the search. - name: _limit type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: _fields type: string description: 'Fields to project from OxidationStateDoc as a list of comma separated strings. Fields include: `builder_meta` `nsites` `elements` `nelements` `composition` `com' - name: _all_fields type: boolean description: Include all fields. - name: license type: string description: Query by license. Can be commercial or non-commercial, or both outputParameters: - type: object mapping: $. - name: search-materials-alloys-get description: Get AlloyPairDoc documents hints: readOnly: true destructive: false idempotent: true call: materials-project.search-materials-alloys-get with: material_ids: tools.material_ids formulae: tools.formulae _page: tools._page _per_page: tools._per_page _skip: tools._skip _limit: tools._limit _fields: tools._fields _all_fields: tools._all_fields inputParameters: - name: material_ids type: string description: Comma-separated list of material_ids to query on - name: formulae type: string description: Comma-separated list of end-point formulas to query. - name: _page type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip type: integer description: Number of entries to skip in the search. - name: _limit type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: _fields type: string description: 'Fields to project from AlloyPairDoc as a list of comma separated strings. Fields include: `builder_meta` `alloy_pair` `pair_id`' - name: _all_fields type: boolean description: Include all fields. outputParameters: - type: object mapping: $. - name: search-materials-provenance-get description: Get ProvenanceDoc documents hints: readOnly: true destructive: false idempotent: true call: materials-project.search-materials-provenance-get with: material_ids: tools.material_ids deprecated: tools.deprecated _page: tools._page _per_page: tools._per_page _skip: tools._skip _limit: tools._limit _fields: tools._fields _all_fields: tools._all_fields inputParameters: - name: material_ids type: string description: Comma-separated list of material_id values to query on - name: deprecated type: string description: Whether the material is marked as deprecated - name: _page type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip type: integer description: Number of entries to skip in the search. - name: _limit type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: _fields type: string description: 'Fields to project from ProvenanceDoc as a list of comma separated strings. Fields include: `builder_meta` `nsites` `elements` `nelements` `composition` `composi' - name: _all_fields type: boolean description: Include all fields. outputParameters: - type: object mapping: $. - name: search-materials-summary-get description: Get SummaryDoc documents hints: readOnly: true destructive: false idempotent: true call: materials-project.search-materials-summary-get with: material_ids: tools.material_ids formula: tools.formula chemsys: tools.chemsys elements: tools.elements exclude_elements: tools.exclude_elements possible_species: tools.possible_species crystal_system: tools.crystal_system spacegroup_number: tools.spacegroup_number spacegroup_symbol: tools.spacegroup_symbol is_stable: tools.is_stable theoretical: tools.theoretical ordering: tools.ordering is_gap_direct: tools.is_gap_direct is_metal: tools.is_metal nsites_max: tools.nsites_max nsites_min: tools.nsites_min nsites: tools.nsites nsites_not_eq: tools.nsites_not_eq nsites_eq_any: tools.nsites_eq_any nsites_neq_any: tools.nsites_neq_any nelements_max: tools.nelements_max nelements_min: tools.nelements_min nelements: tools.nelements nelements_not_eq: tools.nelements_not_eq nelements_eq_any: tools.nelements_eq_any nelements_neq_any: tools.nelements_neq_any volume_max: tools.volume_max volume_min: tools.volume_min density_max: tools.density_max density_min: tools.density_min density_atomic_max: tools.density_atomic_max density_atomic_min: tools.density_atomic_min uncorrected_energy_per_atom_max: tools.uncorrected_energy_per_atom_max uncorrected_energy_per_atom_min: tools.uncorrected_energy_per_atom_min energy_per_atom_max: tools.energy_per_atom_max energy_per_atom_min: tools.energy_per_atom_min formation_energy_per_atom_max: tools.formation_energy_per_atom_max formation_energy_per_atom_min: tools.formation_energy_per_atom_min energy_above_hull_max: tools.energy_above_hull_max energy_above_hull_min: tools.energy_above_hull_min equilibrium_reaction_energy_per_atom_max: tools.equilibrium_reaction_energy_per_atom_max equilibrium_reaction_energy_per_atom_min: tools.equilibrium_reaction_energy_per_atom_min band_gap_max: tools.band_gap_max band_gap_min: tools.band_gap_min cbm_max: tools.cbm_max cbm_min: tools.cbm_min vbm_max: tools.vbm_max vbm_min: tools.vbm_min efermi_max: tools.efermi_max efermi_min: tools.efermi_min dos_energy_up_max: tools.dos_energy_up_max dos_energy_up_min: tools.dos_energy_up_min dos_energy_down_max: tools.dos_energy_down_max dos_energy_down_min: tools.dos_energy_down_min total_magnetization_max: tools.total_magnetization_max total_magnetization_min: tools.total_magnetization_min total_magnetization_normalized_vol_max: tools.total_magnetization_normalized_vol_max total_magnetization_normalized_vol_min: tools.total_magnetization_normalized_vol_min total_magnetization_normalized_formula_units_max: tools.total_magnetization_normalized_formula_units_max total_magnetization_normalized_formula_units_min: tools.total_magnetization_normalized_formula_units_min num_magnetic_sites_max: tools.num_magnetic_sites_max num_magnetic_sites_min: tools.num_magnetic_sites_min num_magnetic_sites: tools.num_magnetic_sites num_magnetic_sites_not_eq: tools.num_magnetic_sites_not_eq num_magnetic_sites_eq_any: tools.num_magnetic_sites_eq_any num_magnetic_sites_neq_any: tools.num_magnetic_sites_neq_any num_unique_magnetic_sites_max: tools.num_unique_magnetic_sites_max num_unique_magnetic_sites_min: tools.num_unique_magnetic_sites_min num_unique_magnetic_sites: tools.num_unique_magnetic_sites num_unique_magnetic_sites_not_eq: tools.num_unique_magnetic_sites_not_eq num_unique_magnetic_sites_eq_any: tools.num_unique_magnetic_sites_eq_any num_unique_magnetic_sites_neq_any: tools.num_unique_magnetic_sites_neq_any universal_anisotropy_max: tools.universal_anisotropy_max universal_anisotropy_min: tools.universal_anisotropy_min homogeneous_poisson_max: tools.homogeneous_poisson_max homogeneous_poisson_min: tools.homogeneous_poisson_min e_total_max: tools.e_total_max e_total_min: tools.e_total_min e_ionic_max: tools.e_ionic_max e_ionic_min: tools.e_ionic_min e_electronic_max: tools.e_electronic_max e_electronic_min: tools.e_electronic_min n_max: tools.n_max n_min: tools.n_min e_ij_max_max: tools.e_ij_max_max e_ij_max_min: tools.e_ij_max_min weighted_surface_energy_EV_PER_ANG2_max: tools.weighted_surface_energy_EV_PER_ANG2_max weighted_surface_energy_EV_PER_ANG2_min: tools.weighted_surface_energy_EV_PER_ANG2_min weighted_surface_energy_max: tools.weighted_surface_energy_max weighted_surface_energy_min: tools.weighted_surface_energy_min weighted_work_function_max: tools.weighted_work_function_max weighted_work_function_min: tools.weighted_work_function_min surface_anisotropy_max: tools.surface_anisotropy_max surface_anisotropy_min: tools.surface_anisotropy_min shape_factor_max: tools.shape_factor_max shape_factor_min: tools.shape_factor_min k_voigt_max: tools.k_voigt_max k_voigt_min: tools.k_voigt_min k_reuss_max: tools.k_reuss_max k_reuss_min: tools.k_reuss_min k_vrh_max: tools.k_vrh_max k_vrh_min: tools.k_vrh_min g_voigt_max: tools.g_voigt_max g_voigt_min: tools.g_voigt_min g_reuss_max: tools.g_reuss_max g_reuss_min: tools.g_reuss_min g_vrh_max: tools.g_vrh_max g_vrh_min: tools.g_vrh_min has_reconstructed: tools.has_reconstructed has_props: tools.has_props deprecated: tools.deprecated _page: tools._page _per_page: tools._per_page _skip: tools._skip _limit: tools._limit _fields: tools._fields _all_fields: tools._all_fields license: tools.license _sort_fields: tools._sort_fields batch_id: tools.batch_id batch_id_not_eq: tools.batch_id_not_eq batch_id_eq_any: tools.batch_id_eq_any batch_id_neq_any: tools.batch_id_neq_any inputParameters: - name: material_ids type: string description: Comma-separated list of material_ids to query on - name: formula type: string description: Query by formula including anonymized formula or by including wild cards. A comma delimited string list of anonymous formulas or regular formulas can also be pr - name: chemsys type: string description: A comma delimited string list of chemical systems. Wildcards for unknown elements only supported for single chemsys queries - name: elements type: string description: Query by elements in the material composition as a comma-separated list - name: exclude_elements type: string description: Query by excluded elements in the material composition as a comma-separated list - name: possible_species type: string description: Comma delimited list of element symbols appended with oxidation states. (e.g. Cr2+,O2-) - name: crystal_system type: string description: Crystal system of the material. If a comma-separated string, will query by multiple crystal systems. - name: spacegroup_number type: string description: Space group number of the material. If a comma-separated string, will query by multiple space group numbers. - name: spacegroup_symbol type: string description: Space group symbol of the material. If a comma-separated string, will query by multiple space group numbers. - name: is_stable type: string description: Whether the material is stable. - name: theoretical type: string description: Whether the material is theoretical. - name: ordering type: string description: Magnetic ordering of the material. - name: is_gap_direct type: string description: Whether a band gap is direct or not. - name: is_metal type: string description: Whether the material is considered a metal. - name: nsites_max type: string description: Query for maximum value of nsites - name: nsites_min type: string description: Query for minimum value of nsites - name: nsites type: string description: Query for nsites being equal to an exact value - name: nsites_not_eq type: string description: Query for nsites being not equal to an exact value - name: nsites_eq_any type: string description: Query for nsites being any of these values. Provide a comma separated list. - name: nsites_neq_any type: string description: Query for nsites being not any of these values. Provide a comma separated list. - name: nelements_max type: string description: Query for maximum value of nelements - name: nelements_min type: string description: Query for minimum value of nelements - name: nelements type: string description: Query for nelements being equal to an exact value - name: nelements_not_eq type: string description: Query for nelements being not equal to an exact value - name: nelements_eq_any type: string description: Query for nelements being any of these values. Provide a comma separated list. - name: nelements_neq_any type: string description: Query for nelements being not any of these values. Provide a comma separated list. - name: volume_max type: string description: Query for maximum value of volume - name: volume_min type: string description: Query for minimum value of volume - name: density_max type: string description: Query for maximum value of density - name: density_min type: string description: Query for minimum value of density - name: density_atomic_max type: string description: Query for maximum value of density_atomic - name: density_atomic_min type: string description: Query for minimum value of density_atomic - name: uncorrected_energy_per_atom_max type: string description: Query for maximum value of uncorrected_energy_per_atom - name: uncorrected_energy_per_atom_min type: string description: Query for minimum value of uncorrected_energy_per_atom - name: energy_per_atom_max type: string description: Query for maximum value of energy_per_atom - name: energy_per_atom_min type: string description: Query for minimum value of energy_per_atom - name: formation_energy_per_atom_max type: string description: Query for maximum value of formation_energy_per_atom - name: formation_energy_per_atom_min type: string description: Query for minimum value of formation_energy_per_atom - name: energy_above_hull_max type: string description: Query for maximum value of energy_above_hull - name: energy_above_hull_min type: string description: Query for minimum value of energy_above_hull - name: equilibrium_reaction_energy_per_atom_max type: string description: Query for maximum value of equilibrium_reaction_energy_per_atom - name: equilibrium_reaction_energy_per_atom_min type: string description: Query for minimum value of equilibrium_reaction_energy_per_atom - name: band_gap_max type: string description: Query for maximum value of band_gap - name: band_gap_min type: string description: Query for minimum value of band_gap - name: cbm_max type: string description: Query for maximum value of cbm - name: cbm_min type: string description: Query for minimum value of cbm - name: vbm_max type: string description: Query for maximum value of vbm - name: vbm_min type: string description: Query for minimum value of vbm - name: efermi_max type: string description: Query for maximum value of efermi - name: efermi_min type: string description: Query for minimum value of efermi - name: dos_energy_up_max type: string description: Query for maximum value of dos_energy_up - name: dos_energy_up_min type: string description: Query for minimum value of dos_energy_up - name: dos_energy_down_max type: string description: Query for maximum value of dos_energy_down - name: dos_energy_down_min type: string description: Query for minimum value of dos_energy_down - name: total_magnetization_max type: string description: Query for maximum value of total_magnetization - name: total_magnetization_min type: string description: Query for minimum value of total_magnetization - name: total_magnetization_normalized_vol_max type: string description: Query for maximum value of total_magnetization_normalized_vol - name: total_magnetization_normalized_vol_min type: string description: Query for minimum value of total_magnetization_normalized_vol - name: total_magnetization_normalized_formula_units_max type: string description: Query for maximum value of total_magnetization_normalized_formula_units - name: total_magnetization_normalized_formula_units_min type: string description: Query for minimum value of total_magnetization_normalized_formula_units - name: num_magnetic_sites_max type: string description: Query for maximum value of num_magnetic_sites - name: num_magnetic_sites_min type: string description: Query for minimum value of num_magnetic_sites - name: num_magnetic_sites type: string description: Query for num_magnetic_sites being equal to an exact value - name: num_magnetic_sites_not_eq type: string description: Query for num_magnetic_sites being not equal to an exact value - name: num_magnetic_sites_eq_any type: string description: Query for num_magnetic_sites being any of these values. Provide a comma separated list. - name: num_magnetic_sites_neq_any type: string description: Query for num_magnetic_sites being not any of these values. Provide a comma separated list. - name: num_unique_magnetic_sites_max type: string description: Query for maximum value of num_unique_magnetic_sites - name: num_unique_magnetic_sites_min type: string description: Query for minimum value of num_unique_magnetic_sites - name: num_unique_magnetic_sites type: string description: Query for num_unique_magnetic_sites being equal to an exact value - name: num_unique_magnetic_sites_not_eq type: string description: Query for num_unique_magnetic_sites being not equal to an exact value - name: num_unique_magnetic_sites_eq_any type: string description: Query for num_unique_magnetic_sites being any of these values. Provide a comma separated list. - name: num_unique_magnetic_sites_neq_any type: string description: Query for num_unique_magnetic_sites being not any of these values. Provide a comma separated list. - name: universal_anisotropy_max type: string description: Query for maximum value of universal_anisotropy - name: universal_anisotropy_min type: string description: Query for minimum value of universal_anisotropy - name: homogeneous_poisson_max type: string description: Query for maximum value of homogeneous_poisson - name: homogeneous_poisson_min type: string description: Query for minimum value of homogeneous_poisson - name: e_total_max type: string description: Query for maximum value of e_total - name: e_total_min type: string description: Query for minimum value of e_total - name: e_ionic_max type: string description: Query for maximum value of e_ionic - name: e_ionic_min type: string description: Query for minimum value of e_ionic - name: e_electronic_max type: string description: Query for maximum value of e_electronic - name: e_electronic_min type: string description: Query for minimum value of e_electronic - name: n_max type: string description: Query for maximum value of n - name: n_min type: string description: Query for minimum value of n - name: e_ij_max_max type: string description: Query for maximum value of e_ij_max - name: e_ij_max_min type: string description: Query for minimum value of e_ij_max - name: weighted_surface_energy_EV_PER_ANG2_max type: string description: Query for maximum value of weighted_surface_energy_EV_PER_ANG2 - name: weighted_surface_energy_EV_PER_ANG2_min type: string description: Query for minimum value of weighted_surface_energy_EV_PER_ANG2 - name: weighted_surface_energy_max type: string description: Query for maximum value of weighted_surface_energy - name: weighted_surface_energy_min type: string description: Query for minimum value of weighted_surface_energy - name: weighted_work_function_max type: string description: Query for maximum value of weighted_work_function - name: weighted_work_function_min type: string description: Query for minimum value of weighted_work_function - name: surface_anisotropy_max type: string description: Query for maximum value of surface_anisotropy - name: surface_anisotropy_min type: string description: Query for minimum value of surface_anisotropy - name: shape_factor_max type: string description: Query for maximum value of shape_factor - name: shape_factor_min type: string description: Query for minimum value of shape_factor - name: k_voigt_max type: string description: Maximum value for the Voigt average of the bulk modulus in GPa. - name: k_voigt_min type: string description: Minimum value for the Voigt average of the bulk modulus in GPa. - name: k_reuss_max type: string description: Maximum value for the Reuss average of the bulk modulus in GPa. - name: k_reuss_min type: string description: Minimum value for the Reuss average of the bulk modulus in GPa. - name: k_vrh_max type: string description: Maximum value for the Voigt-Reuss-Hill average of the bulk modulus in GPa. - name: k_vrh_min type: string description: Minimum value for the Voigt-Reuss-Hill average of the bulk modulus in GPa. - name: g_voigt_max type: string description: Maximum value for the Voigt average of the shear modulus in GPa. - name: g_voigt_min type: string description: Minimum value for the Voigt average of the shear modulus in GPa. - name: g_reuss_max type: string description: Maximum value for the Reuss average of the shear modulus in GPa. - name: g_reuss_min type: string description: Minimum value for the Reuss average of the shear modulus in GPa. - name: g_vrh_max type: string description: Maximum value for the Voigt-Reuss-Hill average of the shear modulus in GPa. - name: g_vrh_min type: string description: Minimum value for the Voigt-Reuss-Hill average of the shear modulus in GPa. - name: has_reconstructed type: string description: Whether the material has reconstructed surfaces. - name: has_props type: string description: Comma-delimited list of possible properties given by HasPropsEnum to search for. - name: deprecated type: string description: Whether the material is marked as deprecated - name: _page type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip type: integer description: Number of entries to skip in the search. - name: _limit type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: _fields type: string description: 'Fields to project from SummaryDoc as a list of comma separated strings. Fields include: `builder_meta` `nsites` `elements` `nelements` `composition` `compositio' - name: _all_fields type: boolean description: Include all fields. - name: license type: string description: Query by license. Can be commercial or non-commercial, or both - name: _sort_fields type: string description: Comma delimited fields to sort with. Prefixing '-' to a field will force a sort in descending order. - name: batch_id type: string description: Query by batch identifier - name: batch_id_not_eq type: string description: Exclude batch identifier - name: batch_id_eq_any type: string description: Query by a comma-separated list of batch identifiers - name: batch_id_neq_any type: string description: Exclude a comma-separated list of batch identifiers outputParameters: - type: object mapping: $. - name: search-materials-electronic-structure-bandstruct description: Get ElectronicStructureDoc documents hints: readOnly: true destructive: false idempotent: true call: materials-project.search-materials-electronic-structure-bandstruct with: path_type: tools.path_type band_gap_max: tools.band_gap_max band_gap_min: tools.band_gap_min efermi_max: tools.efermi_max efermi_min: tools.efermi_min magnetic_ordering: tools.magnetic_ordering is_gap_direct: tools.is_gap_direct is_metal: tools.is_metal deprecated: tools.deprecated _page: tools._page _per_page: tools._per_page _skip: tools._skip _limit: tools._limit _fields: tools._fields _all_fields: tools._all_fields inputParameters: - name: path_type type: string description: k-path selection convention for the band structure. - name: band_gap_max type: string description: Maximum value for the band gap energy in eV. - name: band_gap_min type: string description: Minimum value for the band gap energy in eV. - name: efermi_max type: string description: Maximum value for the fermi energy in eV. - name: efermi_min type: string description: Minimum value for the fermi energy in eV. - name: magnetic_ordering type: string description: Magnetic ordering associated with the data. - name: is_gap_direct type: string description: Whether a band gap is direct or not. - name: is_metal type: string description: Whether the material is considered a metal. - name: deprecated type: string description: Whether the material is marked as deprecated - name: _page type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip type: integer description: Number of entries to skip in the search. - name: _limit type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: _fields type: string description: 'Fields to project from ElectronicStructureDoc as a list of comma separated strings. Fields include: `task_id` `band_gap` `cbm` `vbm` `efermi` `is_gap_direct` `i' - name: _all_fields type: boolean description: Include all fields. outputParameters: - type: object mapping: $. - name: search-materials-electronic-structure-dos-get description: Get ElectronicStructureDoc documents hints: readOnly: true destructive: false idempotent: true call: materials-project.search-materials-electronic-structure-dos-get with: projection_type: tools.projection_type spin: tools.spin element: tools.element orbital: tools.orbital band_gap_max: tools.band_gap_max band_gap_min: tools.band_gap_min efermi_max: tools.efermi_max efermi_min: tools.efermi_min magnetic_ordering: tools.magnetic_ordering deprecated: tools.deprecated _page: tools._page _per_page: tools._per_page _skip: tools._skip _limit: tools._limit _fields: tools._fields _all_fields: tools._all_fields inputParameters: - name: projection_type type: string description: Projection type for the density of states data. - name: spin type: string description: Spin channel for density of states data. '1' corresponds to spin up. - name: element type: string description: Element type for projected density of states data. - name: orbital type: string description: Orbital type for projected density of states data. - name: band_gap_max type: string description: Maximum value for the band gap energy in eV. - name: band_gap_min type: string description: Minimum value for the band gap energy in eV. - name: efermi_max type: string description: Maximum value for the fermi energy in eV. - name: efermi_min type: string description: Minimum value for the fermi energy in eV. - name: magnetic_ordering type: string description: Magnetic ordering associated with the data. - name: deprecated type: string description: Whether the material is marked as deprecated - name: _page type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip type: integer description: Number of entries to skip in the search. - name: _limit type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: _fields type: string description: 'Fields to project from ElectronicStructureDoc as a list of comma separated strings. Fields include: `task_id` `band_gap` `cbm` `vbm` `efermi` `is_gap_direct` `i' - name: _all_fields type: boolean description: Include all fields. outputParameters: - type: object mapping: $. - name: search-materials-electronic-structure-get description: Get ElectronicStructureDoc documents hints: readOnly: true destructive: false idempotent: true call: materials-project.search-materials-electronic-structure-get with: material_ids: tools.material_ids magnetic_ordering: tools.magnetic_ordering is_gap_direct: tools.is_gap_direct is_metal: tools.is_metal formula: tools.formula chemsys: tools.chemsys elements: tools.elements exclude_elements: tools.exclude_elements band_gap_max: tools.band_gap_max band_gap_min: tools.band_gap_min cbm_max: tools.cbm_max cbm_min: tools.cbm_min vbm_max: tools.vbm_max vbm_min: tools.vbm_min efermi_max: tools.efermi_max efermi_min: tools.efermi_min nsites_max: tools.nsites_max nsites_min: tools.nsites_min nsites: tools.nsites nsites_not_eq: tools.nsites_not_eq nsites_eq_any: tools.nsites_eq_any nsites_neq_any: tools.nsites_neq_any nelements_max: tools.nelements_max nelements_min: tools.nelements_min nelements: tools.nelements nelements_not_eq: tools.nelements_not_eq nelements_eq_any: tools.nelements_eq_any nelements_neq_any: tools.nelements_neq_any volume_max: tools.volume_max volume_min: tools.volume_min density_max: tools.density_max density_min: tools.density_min density_atomic_max: tools.density_atomic_max density_atomic_min: tools.density_atomic_min deprecated: tools.deprecated _page: tools._page _per_page: tools._per_page _skip: tools._skip _limit: tools._limit _fields: tools._fields _all_fields: tools._all_fields inputParameters: - name: material_ids type: string description: Comma-separated list of material_id values to query on - name: magnetic_ordering type: string description: Magnetic ordering associated with the data. - name: is_gap_direct type: string description: Whether a band gap is direct or not. - name: is_metal type: string description: Whether the material is considered a metal. - name: formula type: string description: Query by formula including anonymized formula or by including wild cards. A comma delimited string list of anonymous formulas or regular formulas can also be pr - name: chemsys type: string description: A comma delimited string list of chemical systems. Wildcards for unknown elements only supported for single chemsys queries - name: elements type: string description: Query by elements in the material composition as a comma-separated list - name: exclude_elements type: string description: Query by excluded elements in the material composition as a comma-separated list - name: band_gap_max type: number description: Query for maximum value of band_gap - name: band_gap_min type: number description: Query for minimum value of band_gap - name: cbm_max type: string description: Query for maximum value of cbm - name: cbm_min type: string description: Query for minimum value of cbm - name: vbm_max type: string description: Query for maximum value of vbm - name: vbm_min type: string description: Query for minimum value of vbm - name: efermi_max type: string description: Query for maximum value of efermi - name: efermi_min type: string description: Query for minimum value of efermi - name: nsites_max type: string description: Query for maximum value of nsites - name: nsites_min type: string description: Query for minimum value of nsites - name: nsites type: string description: Query for nsites being equal to an exact value - name: nsites_not_eq type: string description: Query for nsites being not equal to an exact value - name: nsites_eq_any type: string description: Query for nsites being any of these values. Provide a comma separated list. - name: nsites_neq_any type: string description: Query for nsites being not any of these values. Provide a comma separated list. - name: nelements_max type: string description: Query for maximum value of nelements - name: nelements_min type: string description: Query for minimum value of nelements - name: nelements type: string description: Query for nelements being equal to an exact value - name: nelements_not_eq type: string description: Query for nelements being not equal to an exact value - name: nelements_eq_any type: string description: Query for nelements being any of these values. Provide a comma separated list. - name: nelements_neq_any type: string description: Query for nelements being not any of these values. Provide a comma separated list. - name: volume_max type: string description: Query for maximum value of volume - name: volume_min type: string description: Query for minimum value of volume - name: density_max type: string description: Query for maximum value of density - name: density_min type: string description: Query for minimum value of density - name: density_atomic_max type: string description: Query for maximum value of density_atomic - name: density_atomic_min type: string description: Query for minimum value of density_atomic - name: deprecated type: string description: Whether the material is marked as deprecated - name: _page type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip type: integer description: Number of entries to skip in the search. - name: _limit type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: _fields type: string description: 'Fields to project from ElectronicStructureDoc as a list of comma separated strings. Fields include: `task_id` `band_gap` `cbm` `vbm` `efermi` `is_gap_direct` `i' - name: _all_fields type: boolean description: Include all fields. outputParameters: - type: object mapping: $. - name: search-molecules-summary-get description: Get MoleculeSummaryDoc documents hints: readOnly: true destructive: false idempotent: true call: materials-project.search-molecules-summary-get with: molecule_ids: tools.molecule_ids formula: tools.formula chemsys: tools.chemsys elements: tools.elements exclude_elements: tools.exclude_elements has_props: tools.has_props charge: tools.charge spin_multiplicity: tools.spin_multiplicity inchi: tools.inchi inchi_key: tools.inchi_key species_hash: tools.species_hash coord_hash: tools.coord_hash _page: tools._page _per_page: tools._per_page _skip: tools._skip _limit: tools._limit nelements_max: tools.nelements_max nelements_min: tools.nelements_min nelements: tools.nelements nelements_not_eq: tools.nelements_not_eq nelements_eq_any: tools.nelements_eq_any nelements_neq_any: tools.nelements_neq_any _sort_fields: tools._sort_fields _fields: tools._fields _all_fields: tools._all_fields inputParameters: - name: molecule_ids type: string description: Comma-separated list of molecule_ids to query on - name: formula type: string description: Query by alphabetical formula. A comma delimited string list of alphabetical formulas can also be provided. - name: chemsys type: string description: A comma delimited string list of chemical systems. Wildcards for unknown elements only supported for single chemsys queries - name: elements type: string description: Query by elements in the material composition as a comma-separated list - name: exclude_elements type: string description: Query by excluded elements in the material composition as a comma-separated list - name: has_props type: string description: Comma-delimited list of possible properties given by HasPropsEnum to search for. - name: charge type: string description: Query by molecular charge - name: spin_multiplicity type: string description: Query by molecular spin multiplicity. - name: inchi type: string description: International chemical identifier (InChI) string for this molecule - name: inchi_key type: string description: Hash of the InChI, also known as the InChI-key - name: species_hash type: string description: Graph hash augmented with node species - name: coord_hash type: string description: Graph hash augmented with node XYZ coordinates - name: _page type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip type: integer description: Number of entries to skip in the search. - name: _limit type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: nelements_max type: string description: Query for maximum value of nelements - name: nelements_min type: string description: Query for minimum value of nelements - name: nelements type: string description: Query for nelements being equal to an exact value - name: nelements_not_eq type: string description: Query for nelements being not equal to an exact value - name: nelements_eq_any type: string description: Query for nelements being any of these values. Provide a comma separated list. - name: nelements_neq_any type: string description: Query for nelements being not any of these values. Provide a comma separated list. - name: _sort_fields type: string description: Comma delimited fields to sort with. Prefixing '-' to a field will force a sort in descending order. - name: _fields type: string description: 'Fields to project from MoleculeSummaryDoc as a list of comma separated strings. Fields include: `charge` `spin_multiplicity` `natoms` `elements` `nelements` `ne' - name: _all_fields type: boolean description: Include all fields. outputParameters: - type: object mapping: $. - name: search-molecules-jcesr-get description: Get MoleculesDoc documents hints: readOnly: true destructive: false idempotent: true call: materials-project.search-molecules-jcesr-get with: nelements_max: tools.nelements_max nelements_min: tools.nelements_min EA_max: tools.EA_max EA_min: tools.EA_min IE_max: tools.IE_max IE_min: tools.IE_min charge_max: tools.charge_max charge_min: tools.charge_min pointgroup: tools.pointgroup smiles: tools.smiles elements: tools.elements formula: tools.formula task_ids: tools.task_ids _page: tools._page _per_page: tools._per_page _skip: tools._skip _limit: tools._limit _sort_fields: tools._sort_fields _fields: tools._fields _all_fields: tools._all_fields inputParameters: - name: nelements_max type: string description: Maximum value for the number of elements. - name: nelements_min type: string description: Minimum value for the number of elements. - name: EA_max type: string description: Maximum value for the electron affinity in eV. - name: EA_min type: string description: Minimum value for the electron affinity in eV. - name: IE_max type: string description: Maximum value for the ionization energy in eV. - name: IE_min type: string description: Minimum value for the ionization energy in eV. - name: charge_max type: string description: Maximum value for the charge in +e. - name: charge_min type: string description: Minimum value for the charge in +e. - name: pointgroup type: string description: Point of the molecule in Schoenflies notation. - name: smiles type: string description: The simplified molecular input line-entry system (SMILES) representation of the molecule. - name: elements type: string description: Query by elements in the material composition as a comma-separated list - name: formula type: string description: Chemical formula of the molecule. A comma-separated list of formulas is also accepted. - name: task_ids type: string description: Comma-separated list of task_ids to query on - name: _page type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip type: integer description: Number of entries to skip in the search. - name: _limit type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: _sort_fields type: string description: Comma delimited fields to sort with. Prefixing '-' to a field will force a sort in descending order. - name: _fields type: string description: 'Fields to project from MoleculesDoc as a list of comma separated strings. Fields include: `elements` `nelements` `EA` `IE` `charge` `pointgroup` `smiles` `task_' - name: _all_fields type: boolean description: Include all fields. outputParameters: - type: object mapping: $. - name: search-defects-tasks-get description: Get DefectTaskDoc documents hints: readOnly: true destructive: false idempotent: true call: materials-project.search-defects-tasks-get with: formula: tools.formula chemsys: tools.chemsys elements: tools.elements exclude_elements: tools.exclude_elements task_ids: tools.task_ids last_updated_min: tools.last_updated_min last_updated_max: tools.last_updated_max _page: tools._page _per_page: tools._per_page _skip: tools._skip _limit: tools._limit _fields: tools._fields _all_fields: tools._all_fields inputParameters: - name: formula type: string description: Query by formula including anonymized formula or by including wild cards. A comma delimited string list of anonymous formulas or regular formulas can also be pr - name: chemsys type: string description: A comma delimited string list of chemical systems. Wildcards for unknown elements only supported for single chemsys queries - name: elements type: string description: Query by elements in the material composition as a comma-separated list - name: exclude_elements type: string description: Query by excluded elements in the material composition as a comma-separated list - name: task_ids type: string description: Comma-separated list of task_ids to query on - name: last_updated_min type: string description: Minimum last updated UTC datetime - name: last_updated_max type: string description: Maximum last updated UTC datetime - name: _page type: integer description: Page number to request (takes precedent over _limit and _skip). - name: _per_page type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip type: integer description: Number of entries to skip in the search. - name: _limit type: integer description: Max number of entries to return in a single query. Limited to 1000. - name: _fields type: string description: 'Fields to project from DefectTaskDoc as a list of comma separated strings. Fields include: `nsites` `elements` `nelements` `composition` `composition_reduced` `' - name: _all_fields type: boolean description: Include all fields. outputParameters: - type: object mapping: $. binds: - namespace: env keys: MATERIALS_PROJECT_TOKEN: MATERIALS_PROJECT_TOKEN