openapi: 3.1.0 info: title: Materials Project Defect Tasks Materials Summary API description: "\nThe Materials Project API allows anyone to have direct access to current, up-to-date information from the Materials Project database in a structured way.\n\nThis allows for analysis, development of automated tools, machine learning, downloading personal copies of the Materials Project database and more on a large scale.\n\nThe 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.\n\n## API Key\nTo make any request to the Materials Project API, you must use an API key. Your API key is generated for you automatically upon registering with the Materials Project website and is synced with the email you used to register.\n\nRemember to keep your API key safe and to not share it with anyone you do not trust.\n\nIf you are logged in, you can always access your API key from this page or from your [dashboard](https://next-gen.materialsproject.org/dashboard).\n\nIf you intend heavy API usage, you can give us a heads up by sending a message to . With the exception of retrieving charge densities, this is not required, but may help us if we see unusual load on our servers.\n\n## Accessing Data\nTo use the API, you have three options:\n\n1. You can use our first-party supported Python client. This is the recommend route. The `mp-api` package containing the client is pip installable.\n\n ```\n pip install mp-api\n ```\n\n The `MPRester` client can be accessed by importing from it. This will ultimately replace the legacy `MPRester` available in pymatgen.\n\n For more details on how to use this, including code examples, please see .\n\n2. You can demo the API interactively on this documentation page. Click the \"Authorize\" button, paste in your API key, and then click the appropriate section to try out a query.\n\n3. Since this is a REST API, and offers a fully-compliant OpenAPI specification, it's possible to use the API with many libraries in many languages and environments, including JavaScript, MATLAB, Mathematica, etc. However, we do not offer first-party support for explaining how to do this, and you will have to follow the specification yourself.\n\n" version: 0.86.4rc5.dev1+g77c2c1315 x-logo: url: https://raw.githubusercontent.com/materialsproject/emmet/master/emmet-api/emmet/api/core/assets/mp_logo_small.png security: - ApiKeyAuth: [] tags: - name: Materials Summary description: Route providing a large amount of amalgamated data for a material. This is constructed by combining subsets of data from many of the other API endpoints. The summary endpoint is very useful for performing queries for materials over a large property space. Note that every unique material within the Materials Project should have a set of summary data. See the `SummaryDoc` schema for a full list of fields returned by this route. paths: /materials/summary/: get: tags: - Materials Summary summary: Get SummaryDoc documents operationId: search_materials_summary__get parameters: - name: material_ids in: query required: false schema: anyOf: - type: string - type: 'null' description: Comma-separated list of material_ids to query on title: Material Ids description: Comma-separated list of material_ids to query on - name: formula in: query required: false schema: anyOf: - type: string - type: 'null' 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 provided. title: Formula 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 provided. - name: chemsys in: query required: false schema: anyOf: - type: string - type: 'null' description: A comma delimited string list of chemical systems. Wildcards for unknown elements only supported for single chemsys queries title: Chemsys description: A comma delimited string list of chemical systems. Wildcards for unknown elements only supported for single chemsys queries - name: elements in: query required: false schema: anyOf: - type: string maxLength: 60 - type: 'null' description: Query by elements in the material composition as a comma-separated list title: Elements description: Query by elements in the material composition as a comma-separated list - name: exclude_elements in: query required: false schema: anyOf: - type: string maxLength: 60 - type: 'null' description: Query by excluded elements in the material composition as a comma-separated list title: Exclude Elements description: Query by excluded elements in the material composition as a comma-separated list - name: possible_species in: query required: false schema: type: string description: Comma delimited list of element symbols appended with oxidation states. (e.g. Cr2+,O2-) title: Possible Species description: Comma delimited list of element symbols appended with oxidation states. (e.g. Cr2+,O2-) - name: crystal_system in: query required: false schema: anyOf: - type: string - type: 'null' description: Crystal system of the material. If a comma-separated string, will query by multiple crystal systems. title: Crystal System description: Crystal system of the material. If a comma-separated string, will query by multiple crystal systems. - name: spacegroup_number in: query required: false schema: anyOf: - type: integer - type: string - type: 'null' description: Space group number of the material. If a comma-separated string, will query by multiple space group numbers. title: Spacegroup Number description: Space group number of the material. If a comma-separated string, will query by multiple space group numbers. - name: spacegroup_symbol in: query required: false schema: anyOf: - type: string - type: 'null' description: Space group symbol of the material. If a comma-separated string, will query by multiple space group numbers. title: Spacegroup Symbol description: Space group symbol of the material. If a comma-separated string, will query by multiple space group numbers. - name: is_stable in: query required: false schema: anyOf: - type: boolean - type: 'null' description: Whether the material is stable. title: Is Stable description: Whether the material is stable. - name: theoretical in: query required: false schema: anyOf: - type: boolean - type: 'null' description: Whether the material is theoretical. title: Theoretical description: Whether the material is theoretical. - name: ordering in: query required: false schema: anyOf: - $ref: '#/components/schemas/Ordering' - type: 'null' description: Magnetic ordering of the material. title: Ordering description: Magnetic ordering of the material. - name: is_gap_direct in: query required: false schema: anyOf: - type: boolean - type: 'null' description: Whether a band gap is direct or not. title: Is Gap Direct description: Whether a band gap is direct or not. - name: is_metal in: query required: false schema: anyOf: - type: boolean - type: 'null' description: Whether the material is considered a metal. title: Is Metal description: Whether the material is considered a metal. - name: nsites_max in: query required: false schema: anyOf: - type: integer - type: 'null' description: Query for maximum value of nsites title: Nsites Max description: Query for maximum value of nsites - name: nsites_min in: query required: false schema: anyOf: - type: integer - type: 'null' description: Query for minimum value of nsites title: Nsites Min description: Query for minimum value of nsites - name: nsites in: query required: false schema: anyOf: - type: integer - type: 'null' description: Query for nsites being equal to an exact value title: Nsites description: Query for nsites being equal to an exact value - name: nsites_not_eq in: query required: false schema: anyOf: - type: integer - type: 'null' description: Query for nsites being not equal to an exact value title: Nsites Not Eq description: Query for nsites being not equal to an exact value - name: nsites_eq_any in: query required: false schema: type: string description: Query for nsites being any of these values. Provide a comma separated list. title: Nsites Eq Any description: Query for nsites being any of these values. Provide a comma separated list. - name: nsites_neq_any in: query required: false schema: type: string description: Query for nsites being not any of these values. Provide a comma separated list. title: Nsites Neq Any description: Query for nsites being not any of these values. Provide a comma separated list. - name: nelements_max in: query required: false schema: anyOf: - type: integer - type: 'null' description: Query for maximum value of nelements title: Nelements Max description: Query for maximum value of nelements - name: nelements_min in: query required: false schema: anyOf: - type: integer - type: 'null' description: Query for minimum value of nelements title: Nelements Min description: Query for minimum value of nelements - name: nelements in: query required: false schema: anyOf: - type: integer - type: 'null' description: Query for nelements being equal to an exact value title: Nelements description: Query for nelements being equal to an exact value - name: nelements_not_eq in: query required: false schema: anyOf: - type: integer - type: 'null' description: Query for nelements being not equal to an exact value title: Nelements Not Eq description: Query for nelements being not equal to an exact value - name: nelements_eq_any in: query required: false schema: type: string description: Query for nelements being any of these values. Provide a comma separated list. title: Nelements Eq Any description: Query for nelements being any of these values. Provide a comma separated list. - name: nelements_neq_any in: query required: false schema: type: string description: Query for nelements being not any of these values. Provide a comma separated list. title: Nelements Neq Any description: Query for nelements being not any of these values. Provide a comma separated list. - name: volume_max in: query required: false schema: anyOf: - type: number - type: 'null' description: Query for maximum value of volume title: Volume Max description: Query for maximum value of volume - name: volume_min in: query required: false schema: anyOf: - type: number - type: 'null' description: Query for minimum value of volume title: Volume Min description: Query for minimum value of volume - name: density_max in: query required: false schema: anyOf: - type: number - type: 'null' description: Query for maximum value of density title: Density Max description: Query for maximum value of density - name: density_min in: query required: false schema: anyOf: - type: number - type: 'null' description: Query for minimum value of density title: Density Min description: Query for minimum value of density - name: density_atomic_max in: query required: false schema: anyOf: - type: number - type: 'null' description: Query for maximum value of density_atomic title: Density Atomic Max description: Query for maximum value of density_atomic - name: density_atomic_min in: query required: false schema: anyOf: - type: number - type: 'null' description: Query for minimum value of density_atomic title: Density Atomic Min description: Query for minimum value of density_atomic - name: uncorrected_energy_per_atom_max in: query required: false schema: anyOf: - type: number - type: 'null' description: Query for maximum value of uncorrected_energy_per_atom title: Uncorrected Energy Per Atom Max description: Query for maximum value of uncorrected_energy_per_atom - name: uncorrected_energy_per_atom_min in: query required: false schema: anyOf: - type: number - type: 'null' description: Query for minimum value of uncorrected_energy_per_atom title: Uncorrected Energy Per Atom Min description: Query for minimum value of uncorrected_energy_per_atom - name: energy_per_atom_max in: query required: false schema: anyOf: - type: number - type: 'null' description: Query for maximum value of energy_per_atom title: Energy Per Atom Max description: Query for maximum value of energy_per_atom - name: energy_per_atom_min in: query required: false schema: anyOf: - type: number - type: 'null' description: Query for minimum value of energy_per_atom title: Energy Per Atom Min description: Query for minimum value of energy_per_atom - name: formation_energy_per_atom_max in: query required: false schema: anyOf: - type: number - type: 'null' description: Query for maximum value of formation_energy_per_atom title: Formation Energy Per Atom Max description: Query for maximum value of formation_energy_per_atom - name: formation_energy_per_atom_min in: query required: false schema: anyOf: - type: number - type: 'null' description: Query for minimum value of formation_energy_per_atom title: Formation Energy Per Atom Min description: Query for minimum value of formation_energy_per_atom - name: energy_above_hull_max in: query required: false schema: anyOf: - type: number - type: 'null' description: Query for maximum value of energy_above_hull title: Energy Above Hull Max description: Query for maximum value of energy_above_hull - name: energy_above_hull_min in: query required: false schema: anyOf: - type: number - type: 'null' description: Query for minimum value of energy_above_hull title: Energy Above Hull Min description: Query for minimum value of energy_above_hull - name: equilibrium_reaction_energy_per_atom_max in: query required: false schema: anyOf: - type: number - type: 'null' description: Query for maximum value of equilibrium_reaction_energy_per_atom title: Equilibrium Reaction Energy Per Atom Max description: Query for maximum value of equilibrium_reaction_energy_per_atom - name: equilibrium_reaction_energy_per_atom_min in: query required: false schema: anyOf: - type: number - type: 'null' description: Query for minimum value of equilibrium_reaction_energy_per_atom title: Equilibrium Reaction Energy Per Atom Min description: Query for minimum value of equilibrium_reaction_energy_per_atom - name: band_gap_max in: query required: false schema: anyOf: - type: number - type: 'null' description: Query for maximum value of band_gap title: Band Gap Max description: Query for maximum value of band_gap - name: band_gap_min in: query required: false schema: anyOf: - type: number - type: 'null' description: Query for minimum value of band_gap title: Band Gap Min description: Query for minimum value of band_gap - name: cbm_max in: query required: false schema: anyOf: - type: number - type: 'null' description: Query for maximum value of cbm title: Cbm Max description: Query for maximum value of cbm - name: cbm_min in: query required: false schema: anyOf: - type: number - type: 'null' description: Query for minimum value of cbm title: Cbm Min description: Query for minimum value of cbm - name: vbm_max in: query required: false schema: anyOf: - type: number - type: 'null' description: Query for maximum value of vbm title: Vbm Max description: Query for maximum value of vbm - name: vbm_min in: query required: false schema: anyOf: - type: number - type: 'null' description: Query for minimum value of vbm title: Vbm Min description: Query for minimum value of vbm - name: efermi_max in: query required: false schema: anyOf: - type: number - type: 'null' description: Query for maximum value of efermi title: Efermi Max description: Query for maximum value of efermi - name: efermi_min in: query required: false schema: anyOf: - type: number - type: 'null' description: Query for minimum value of efermi title: Efermi Min description: Query for minimum value of efermi - name: dos_energy_up_max in: query required: false schema: anyOf: - type: number - type: 'null' description: Query for maximum value of dos_energy_up title: Dos Energy Up Max description: Query for maximum value of dos_energy_up - name: dos_energy_up_min in: query required: false schema: anyOf: - type: number - type: 'null' description: Query for minimum value of dos_energy_up title: Dos Energy Up Min description: Query for minimum value of dos_energy_up - name: dos_energy_down_max in: query required: false schema: anyOf: - type: number - type: 'null' description: Query for maximum value of dos_energy_down title: Dos Energy Down Max description: Query for maximum value of dos_energy_down - name: dos_energy_down_min in: query required: false schema: anyOf: - type: number - type: 'null' description: Query for minimum value of dos_energy_down title: Dos Energy Down Min description: Query for minimum value of dos_energy_down - name: total_magnetization_max in: query required: false schema: anyOf: - type: number - type: 'null' description: Query for maximum value of total_magnetization title: Total Magnetization Max description: Query for maximum value of total_magnetization - name: total_magnetization_min in: query required: false schema: anyOf: - type: number - type: 'null' description: Query for minimum value of total_magnetization title: Total Magnetization Min description: Query for minimum value of total_magnetization - name: total_magnetization_normalized_vol_max in: query required: false schema: anyOf: - type: number - type: 'null' description: Query for maximum value of total_magnetization_normalized_vol title: Total Magnetization Normalized Vol Max description: Query for maximum value of total_magnetization_normalized_vol - name: total_magnetization_normalized_vol_min in: query required: false schema: anyOf: - type: number - type: 'null' description: Query for minimum value of total_magnetization_normalized_vol title: Total Magnetization Normalized Vol Min description: Query for minimum value of total_magnetization_normalized_vol - name: total_magnetization_normalized_formula_units_max in: query required: false schema: anyOf: - type: number - type: 'null' description: Query for maximum value of total_magnetization_normalized_formula_units title: Total Magnetization Normalized Formula Units Max description: Query for maximum value of total_magnetization_normalized_formula_units - name: total_magnetization_normalized_formula_units_min in: query required: false schema: anyOf: - type: number - type: 'null' description: Query for minimum value of total_magnetization_normalized_formula_units title: Total Magnetization Normalized Formula Units Min description: Query for minimum value of total_magnetization_normalized_formula_units - name: num_magnetic_sites_max in: query required: false schema: anyOf: - type: integer - type: 'null' description: Query for maximum value of num_magnetic_sites title: Num Magnetic Sites Max description: Query for maximum value of num_magnetic_sites - name: num_magnetic_sites_min in: query required: false schema: anyOf: - type: integer - type: 'null' description: Query for minimum value of num_magnetic_sites title: Num Magnetic Sites Min description: Query for minimum value of num_magnetic_sites - name: num_magnetic_sites in: query required: false schema: anyOf: - type: integer - type: 'null' description: Query for num_magnetic_sites being equal to an exact value title: Num Magnetic Sites description: Query for num_magnetic_sites being equal to an exact value - name: num_magnetic_sites_not_eq in: query required: false schema: anyOf: - type: integer - type: 'null' description: Query for num_magnetic_sites being not equal to an exact value title: Num Magnetic Sites Not Eq description: Query for num_magnetic_sites being not equal to an exact value - name: num_magnetic_sites_eq_any in: query required: false schema: type: string description: Query for num_magnetic_sites being any of these values. Provide a comma separated list. title: Num Magnetic Sites Eq Any description: Query for num_magnetic_sites being any of these values. Provide a comma separated list. - name: num_magnetic_sites_neq_any in: query required: false schema: type: string description: Query for num_magnetic_sites being not any of these values. Provide a comma separated list. title: Num Magnetic Sites Neq Any 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 required: false schema: anyOf: - type: integer - type: 'null' description: Query for maximum value of num_unique_magnetic_sites title: Num Unique Magnetic Sites Max description: Query for maximum value of num_unique_magnetic_sites - name: num_unique_magnetic_sites_min in: query required: false schema: anyOf: - type: integer - type: 'null' description: Query for minimum value of num_unique_magnetic_sites title: Num Unique Magnetic Sites Min description: Query for minimum value of num_unique_magnetic_sites - name: num_unique_magnetic_sites in: query required: false schema: anyOf: - type: integer - type: 'null' description: Query for num_unique_magnetic_sites being equal to an exact value title: Num Unique Magnetic Sites description: Query for num_unique_magnetic_sites being equal to an exact value - name: num_unique_magnetic_sites_not_eq in: query required: false schema: anyOf: - type: integer - type: 'null' description: Query for num_unique_magnetic_sites being not equal to an exact value title: Num Unique Magnetic Sites Not Eq description: Query for num_unique_magnetic_sites being not equal to an exact value - name: num_unique_magnetic_sites_eq_any in: query required: false schema: type: string description: Query for num_unique_magnetic_sites being any of these values. Provide a comma separated list. title: Num Unique Magnetic Sites Eq Any 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 required: false schema: type: string description: Query for num_unique_magnetic_sites being not any of these values. Provide a comma separated list. title: Num Unique Magnetic Sites Neq Any description: Query for num_unique_magnetic_sites being not any of these values. Provide a comma separated list. - name: universal_anisotropy_max in: query required: false schema: anyOf: - type: number - type: 'null' description: Query for maximum value of universal_anisotropy title: Universal Anisotropy Max description: Query for maximum value of universal_anisotropy - name: universal_anisotropy_min in: query required: false schema: anyOf: - type: number - type: 'null' description: Query for minimum value of universal_anisotropy title: Universal Anisotropy Min description: Query for minimum value of universal_anisotropy - name: homogeneous_poisson_max in: query required: false schema: anyOf: - type: number - type: 'null' description: Query for maximum value of homogeneous_poisson title: Homogeneous Poisson Max description: Query for maximum value of homogeneous_poisson - name: homogeneous_poisson_min in: query required: false schema: anyOf: - type: number - type: 'null' description: Query for minimum value of homogeneous_poisson title: Homogeneous Poisson Min description: Query for minimum value of homogeneous_poisson - name: e_total_max in: query required: false schema: anyOf: - type: number - type: 'null' description: Query for maximum value of e_total title: E Total Max description: Query for maximum value of e_total - name: e_total_min in: query required: false schema: anyOf: - type: number - type: 'null' description: Query for minimum value of e_total title: E Total Min description: Query for minimum value of e_total - name: e_ionic_max in: query required: false schema: anyOf: - type: number - type: 'null' description: Query for maximum value of e_ionic title: E Ionic Max description: Query for maximum value of e_ionic - name: e_ionic_min in: query required: false schema: anyOf: - type: number - type: 'null' description: Query for minimum value of e_ionic title: E Ionic Min description: Query for minimum value of e_ionic - name: e_electronic_max in: query required: false schema: anyOf: - type: number - type: 'null' description: Query for maximum value of e_electronic title: E Electronic Max description: Query for maximum value of e_electronic - name: e_electronic_min in: query required: false schema: anyOf: - type: number - type: 'null' description: Query for minimum value of e_electronic title: E Electronic Min description: Query for minimum value of e_electronic - name: n_max in: query required: false schema: anyOf: - type: number - type: 'null' description: Query for maximum value of n title: N Max description: Query for maximum value of n - name: n_min in: query required: false schema: anyOf: - type: number - type: 'null' description: Query for minimum value of n title: N Min description: Query for minimum value of n - name: e_ij_max_max in: query required: false schema: anyOf: - type: number - type: 'null' description: Query for maximum value of e_ij_max title: E Ij Max Max description: Query for maximum value of e_ij_max - name: e_ij_max_min in: query required: false schema: anyOf: - type: number - type: 'null' description: Query for minimum value of e_ij_max title: E Ij Max Min description: Query for minimum value of e_ij_max - name: weighted_surface_energy_EV_PER_ANG2_max in: query required: false schema: anyOf: - type: number - type: 'null' description: Query for maximum value of weighted_surface_energy_EV_PER_ANG2 title: Weighted Surface Energy Ev Per Ang2 Max description: Query for maximum value of weighted_surface_energy_EV_PER_ANG2 - name: weighted_surface_energy_EV_PER_ANG2_min in: query required: false schema: anyOf: - type: number - type: 'null' description: Query for minimum value of weighted_surface_energy_EV_PER_ANG2 title: Weighted Surface Energy Ev Per Ang2 Min description: Query for minimum value of weighted_surface_energy_EV_PER_ANG2 - name: weighted_surface_energy_max in: query required: false schema: anyOf: - type: number - type: 'null' description: Query for maximum value of weighted_surface_energy title: Weighted Surface Energy Max description: Query for maximum value of weighted_surface_energy - name: weighted_surface_energy_min in: query required: false schema: anyOf: - type: number - type: 'null' description: Query for minimum value of weighted_surface_energy title: Weighted Surface Energy Min description: Query for minimum value of weighted_surface_energy - name: weighted_work_function_max in: query required: false schema: anyOf: - type: number - type: 'null' description: Query for maximum value of weighted_work_function title: Weighted Work Function Max description: Query for maximum value of weighted_work_function - name: weighted_work_function_min in: query required: false schema: anyOf: - type: number - type: 'null' description: Query for minimum value of weighted_work_function title: Weighted Work Function Min description: Query for minimum value of weighted_work_function - name: surface_anisotropy_max in: query required: false schema: anyOf: - type: number - type: 'null' description: Query for maximum value of surface_anisotropy title: Surface Anisotropy Max description: Query for maximum value of surface_anisotropy - name: surface_anisotropy_min in: query required: false schema: anyOf: - type: number - type: 'null' description: Query for minimum value of surface_anisotropy title: Surface Anisotropy Min description: Query for minimum value of surface_anisotropy - name: shape_factor_max in: query required: false schema: anyOf: - type: number - type: 'null' description: Query for maximum value of shape_factor title: Shape Factor Max description: Query for maximum value of shape_factor - name: shape_factor_min in: query required: false schema: anyOf: - type: number - type: 'null' description: Query for minimum value of shape_factor title: Shape Factor Min description: Query for minimum value of shape_factor - name: k_voigt_max in: query required: false schema: anyOf: - type: number - type: 'null' description: Maximum value for the Voigt average of the bulk modulus in GPa. title: K Voigt Max description: Maximum value for the Voigt average of the bulk modulus in GPa. - name: k_voigt_min in: query required: false schema: anyOf: - type: number - type: 'null' description: Minimum value for the Voigt average of the bulk modulus in GPa. title: K Voigt Min description: Minimum value for the Voigt average of the bulk modulus in GPa. - name: k_reuss_max in: query required: false schema: anyOf: - type: number - type: 'null' description: Maximum value for the Reuss average of the bulk modulus in GPa. title: K Reuss Max description: Maximum value for the Reuss average of the bulk modulus in GPa. - name: k_reuss_min in: query required: false schema: anyOf: - type: number - type: 'null' description: Minimum value for the Reuss average of the bulk modulus in GPa. title: K Reuss Min description: Minimum value for the Reuss average of the bulk modulus in GPa. - name: k_vrh_max in: query required: false schema: anyOf: - type: number - type: 'null' description: Maximum value for the Voigt-Reuss-Hill average of the bulk modulus in GPa. title: K Vrh Max description: Maximum value for the Voigt-Reuss-Hill average of the bulk modulus in GPa. - name: k_vrh_min in: query required: false schema: anyOf: - type: number - type: 'null' description: Minimum value for the Voigt-Reuss-Hill average of the bulk modulus in GPa. title: K Vrh Min description: Minimum value for the Voigt-Reuss-Hill average of the bulk modulus in GPa. - name: g_voigt_max in: query required: false schema: anyOf: - type: number - type: 'null' description: Maximum value for the Voigt average of the shear modulus in GPa. title: G Voigt Max description: Maximum value for the Voigt average of the shear modulus in GPa. - name: g_voigt_min in: query required: false schema: anyOf: - type: number - type: 'null' description: Minimum value for the Voigt average of the shear modulus in GPa. title: G Voigt Min description: Minimum value for the Voigt average of the shear modulus in GPa. - name: g_reuss_max in: query required: false schema: anyOf: - type: number - type: 'null' description: Maximum value for the Reuss average of the shear modulus in GPa. title: G Reuss Max description: Maximum value for the Reuss average of the shear modulus in GPa. - name: g_reuss_min in: query required: false schema: anyOf: - type: number - type: 'null' description: Minimum value for the Reuss average of the shear modulus in GPa. title: G Reuss Min description: Minimum value for the Reuss average of the shear modulus in GPa. - name: g_vrh_max in: query required: false schema: anyOf: - type: number - type: 'null' description: Maximum value for the Voigt-Reuss-Hill average of the shear modulus in GPa. title: G Vrh Max description: Maximum value for the Voigt-Reuss-Hill average of the shear modulus in GPa. - name: g_vrh_min in: query required: false schema: anyOf: - type: number - type: 'null' description: Minimum value for the Voigt-Reuss-Hill average of the shear modulus in GPa. title: G Vrh Min description: Minimum value for the Voigt-Reuss-Hill average of the shear modulus in GPa. - name: has_reconstructed in: query required: false schema: anyOf: - type: boolean - type: 'null' description: Whether the material has reconstructed surfaces. title: Has Reconstructed description: Whether the material has reconstructed surfaces. - name: has_props in: query required: false schema: anyOf: - type: string - type: 'null' description: Comma-delimited list of possible properties given by HasPropsEnum to search for. title: Has Props description: Comma-delimited list of possible properties given by HasPropsEnum to search for. - name: deprecated in: query required: false schema: anyOf: - type: boolean - type: 'null' description: Whether the material is marked as deprecated default: false title: Deprecated description: Whether the material is marked as deprecated - name: _page in: query required: false schema: type: integer description: Page number to request (takes precedent over _limit and _skip). title: ' Page' description: Page number to request (takes precedent over _limit and _skip). - name: _per_page in: query required: false schema: type: integer description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. default: 100 title: ' Per Page' description: Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000. - name: _skip in: query required: false schema: type: integer description: Number of entries to skip in the search. default: 0 title: ' Skip' description: Number of entries to skip in the search. - name: _limit in: query required: false schema: type: integer description: Max number of entries to return in a single query. Limited to 1000. default: 100 title: ' Limit' description: Max number of entries to return in a single query. Limited to 1000. - name: _fields in: query required: false schema: type: string description: 'Fields to project from SummaryDoc as a list of comma separated strings. Fields include: `builder_meta` `nsites` `elements` `nelements` `composition` `composition_reduced` `formula_pretty` `formula_anonymous` `chemsys` `volume` `density` `density_atomic` `symmetry` `material_id` `deprecated` `deprecation_reasons` `last_updated` `origins` `warnings` `structure` `property_name` `task_ids` `uncorrected_energy_per_atom` `energy_per_atom` `formation_energy_per_atom` `energy_above_hull` `is_stable` `equilibrium_reaction_energy_per_atom` `decomposes_to` `xas` `grain_boundaries` `band_gap` `cbm` `vbm` `efermi` `is_gap_direct` `is_metal` `es_source_calc_id` `bandstructure` `dos` `dos_energy_up` `dos_energy_down` `is_magnetic` `ordering` `total_magnetization` `total_magnetization_normalized_vol` `total_magnetization_normalized_formula_units` `num_magnetic_sites` `num_unique_magnetic_sites` `types_of_magnetic_species` `bulk_modulus` `shear_modulus` `universal_anisotropy` `homogeneous_poisson` `e_total` `e_ionic` `e_electronic` `n` `e_ij_max` `weighted_surface_energy_EV_PER_ANG2` `weighted_surface_energy` `weighted_work_function` `surface_anisotropy` `shape_factor` `has_reconstructed` `possible_species` `has_props` `theoretical` `database_IDs`' title: ' Fields' description: 'Fields to project from SummaryDoc as a list of comma separated strings. Fields include: `builder_meta` `nsites` `elements` `nelements` `composition` `composition_reduced` `formula_pretty` `formula_anonymous` `chemsys` `volume` `density` `density_atomic` `symmetry` `material_id` `deprecated` `deprecation_reasons` `last_updated` `origins` `warnings` `structure` `property_name` `task_ids` `uncorrected_energy_per_atom` `energy_per_atom` `formation_energy_per_atom` `energy_above_hull` `is_stable` `equilibrium_reaction_energy_per_atom` `decomposes_to` `xas` `grain_boundaries` `band_gap` `cbm` `vbm` `efermi` `is_gap_direct` `is_metal` `es_source_calc_id` `bandstructure` `dos` `dos_energy_up` `dos_energy_down` `is_magnetic` `ordering` `total_magnetization` `total_magnetization_normalized_vol` `total_magnetization_normalized_formula_units` `num_magnetic_sites` `num_unique_magnetic_sites` `types_of_magnetic_species` `bulk_modulus` `shear_modulus` `universal_anisotropy` `homogeneous_poisson` `e_total` `e_ionic` `e_electronic` `n` `e_ij_max` `weighted_surface_energy_EV_PER_ANG2` `weighted_surface_energy` `weighted_work_function` `surface_anisotropy` `shape_factor` `has_reconstructed` `possible_species` `has_props` `theoretical` `database_IDs`' - name: _all_fields in: query required: false schema: type: boolean description: Include all fields. default: false title: ' All Fields' description: Include all fields. - name: license in: query required: false schema: anyOf: - enum: - BY-C - BY-NC - All type: string - type: 'null' description: Query by license. Can be commercial or non-commercial, or both default: BY-C title: License description: Query by license. Can be commercial or non-commercial, or both - name: _sort_fields in: query required: false schema: anyOf: - type: string - type: 'null' description: Comma delimited fields to sort with. Prefixing '-' to a field will force a sort in descending order. title: ' Sort Fields' description: Comma delimited fields to sort with. Prefixing '-' to a field will force a sort in descending order. - name: batch_id in: query required: false schema: anyOf: - type: string - type: 'null' description: Query by batch identifier title: Batch Id description: Query by batch identifier - name: batch_id_not_eq in: query required: false schema: anyOf: - type: string - type: 'null' description: Exclude batch identifier title: Batch Id Not Eq description: Exclude batch identifier - name: batch_id_eq_any in: query required: false schema: anyOf: - type: string - type: 'null' description: Query by a comma-separated list of batch identifiers title: Batch Id Eq Any description: Query by a comma-separated list of batch identifiers - name: batch_id_neq_any in: query required: false schema: anyOf: - type: string - type: 'null' description: Exclude a comma-separated list of batch identifiers title: Batch Id Neq Any description: Exclude a comma-separated list of batch identifiers responses: '200': description: Search for a SummaryDoc content: application/json: schema: $ref: '#/components/schemas/Response_SummaryDoc_' '422': description: Validation Error content: application/json: schema: $ref: '#/components/schemas/HTTPValidationError' components: schemas: EmmetMeta: properties: emmet_version: anyOf: - type: string - type: 'null' title: Emmet Version description: The version of emmet this document was built with. default: 0.86.4rc4 pymatgen_version: anyOf: - type: string - type: 'null' title: Pymatgen Version description: The version of pymatgen this document was built with. default: 2026.4.16 run_id: anyOf: - type: string - type: 'null' title: Run Id description: The run id associated with this data build. batch_id: anyOf: - type: string - type: 'null' title: Batch Id description: Identifier corresponding to the origin of this document's blessed task. database_version: anyOf: - type: string - type: 'null' title: Database Version description: The database version for the built data. build_date: anyOf: - type: string format: date-time - type: 'null' title: Build Date description: The build date for this document. license: anyOf: - type: string enum: - BY-C - BY-NC - type: 'null' title: License description: License for the data entry. type: object title: EmmetMeta description: Default emmet metadata. TypedKpointDict: properties: '@module': type: string title: '@Module' '@class': type: string title: '@Class' lattice: $ref: '#/components/schemas/MSONableTypedLatticeDict' fcoords: items: type: number type: array title: Fcoords ccoords: items: type: number type: array title: Ccoords label: type: string title: Label type: object required: - '@module' - '@class' - lattice - fcoords - ccoords - label title: TypedKpointDict TypedAggregateProperitesDict: properties: magmom: anyOf: - items: type: number type: array - type: 'null' title: Magmom charge: anyOf: - items: type: number type: array - type: 'null' title: Charge velocities: anyOf: - items: prefixItems: - type: number - type: number - type: number type: array maxItems: 3 minItems: 3 type: array - type: 'null' title: Velocities selective_dynamics: anyOf: - items: prefixItems: - type: boolean - type: boolean - type: boolean type: array maxItems: 3 minItems: 3 type: array - type: 'null' title: Selective Dynamics type: object title: TypedAggregateProperitesDict Meta: properties: api_version: type: string title: Api Version description: A string containing the version of the Materials API implementation, e.g. v0.9.5 default: 0.86.4rc5.dev1+g77c2c1315 time_stamp: type: string format: date-time title: Time Stamp description: A string containing the date and time at which the query was executed total_doc: anyOf: - type: integer minimum: 0.0 - type: 'null' title: Total Doc description: The total number of documents available for this query facet: anyOf: - additionalProperties: true type: object - type: 'null' title: Facet description: A dictionary containing the facets available for this query additionalProperties: true type: object title: Meta description: Meta information for the MAPI Response. Response_SummaryDoc_: properties: data: anyOf: - items: $ref: '#/components/schemas/SummaryDoc' type: array - type: 'null' title: Data description: List of returned data errors: anyOf: - items: $ref: '#/components/schemas/Error' type: array - type: 'null' title: Errors description: Any errors on processing this query meta: anyOf: - $ref: '#/components/schemas/Meta' - type: 'null' description: Extra information for the query type: object title: Response[SummaryDoc] TypedSpeciesDict: properties: element: anyOf: - type: string - type: 'null' title: Element oxidation_state: anyOf: - type: number - type: 'null' title: Oxidation State spin: anyOf: - type: number - type: 'null' title: Spin occu: anyOf: - type: number - type: 'null' title: Occu type: object title: TypedSpeciesDict HTTPValidationError: properties: detail: items: $ref: '#/components/schemas/ValidationError' type: array title: Detail type: object title: HTTPValidationError DosSummaryData: properties: task_id: anyOf: - type: string pattern: ^([A-Za-z]+-)?(\d+)(-[A-Za-z0-9]+)*$ examples: - mp-3534 - '3453' - mp-834-Ag - type: string examples: - mp-ft - task:pqrs title: Task Id description: The source calculation (task) ID for the electronic structure data. This has the same form as a Materials Project ID. band_gap: type: number title: Band Gap description: Band gap energy in eV. cbm: anyOf: - type: number - type: 'null' title: Cbm description: Conduction band minimum data. vbm: anyOf: - type: number - type: 'null' title: Vbm description: Valence band maximum data. efermi: anyOf: - type: number - type: 'null' title: Efermi description: Fermi energy in eV. spin_polarization: anyOf: - type: number - type: 'null' title: Spin Polarization description: Spin polarization at the fermi level. type: object required: - task_id - band_gap title: DosSummaryData description: Schematize high-level DOS data for the API. DosData: properties: total: anyOf: - additionalProperties: $ref: '#/components/schemas/DosSummaryData' type: object - type: 'null' title: Total description: Total DOS summary data. elemental: anyOf: - additionalProperties: additionalProperties: additionalProperties: $ref: '#/components/schemas/DosSummaryData' type: object propertyNames: enum: - s - p - d - f - total type: object type: object - type: 'null' title: Elemental description: Band structure summary data using the Hinuma et al. path convention. orbital: anyOf: - additionalProperties: additionalProperties: $ref: '#/components/schemas/DosSummaryData' type: object propertyNames: enum: - s - p - d - f - total type: object - type: 'null' title: Orbital description: Band structure summary data using the Latimer-Munro path convention. magnetic_ordering: anyOf: - type: string - type: 'null' description: Magnetic ordering of the calculation. type: object title: DosData TypedSiteDict: properties: label: anyOf: - type: string - type: 'null' title: Label name: anyOf: - type: string - type: 'null' title: Name properties: anyOf: - $ref: '#/components/schemas/TypedSiteProperitesDict' - type: 'null' species: anyOf: - items: $ref: '#/components/schemas/TypedSpeciesDict' type: array - type: 'null' title: Species abc: anyOf: - items: type: number type: array - type: 'null' title: Abc xyz: anyOf: - items: type: number type: array - type: 'null' title: Xyz type: object title: TypedSiteDict BandStructureSummaryData: properties: task_id: anyOf: - type: string pattern: ^([A-Za-z]+-)?(\d+)(-[A-Za-z0-9]+)*$ examples: - mp-3534 - '3453' - mp-834-Ag - type: string examples: - mp-ft - task:pqrs title: Task Id description: The source calculation (task) ID for the electronic structure data. This has the same form as a Materials Project ID. band_gap: type: number title: Band Gap description: Band gap energy in eV. cbm: anyOf: - $ref: '#/components/schemas/TypedBandDict' - type: 'null' description: Conduction band minimum data. vbm: anyOf: - $ref: '#/components/schemas/TypedBandDict' - type: 'null' description: Valence band maximum data. efermi: anyOf: - type: number - type: 'null' title: Efermi description: Fermi energy in eV. is_gap_direct: type: boolean title: Is Gap Direct description: Whether the band gap is direct. is_metal: type: boolean title: Is Metal description: Whether the material is a metal. magnetic_ordering: type: string description: Magnetic ordering of the calculation. equivalent_labels: additionalProperties: additionalProperties: additionalProperties: type: string type: object type: object type: object title: Equivalent Labels description: Equivalent k-point labels in other k-path conventions. nbands: type: number title: Nbands description: Number of bands. direct_gap: type: number title: Direct Gap description: Direct gap energy in eV. type: object required: - task_id - band_gap - is_gap_direct - is_metal - magnetic_ordering - equivalent_labels - nbands - direct_gap title: BandStructureSummaryData description: Schematize high-level band structure data for the API. TypedStructureDict: properties: '@module': type: string title: '@Module' '@class': type: string title: '@Class' charge: anyOf: - type: number - type: 'null' title: Charge lattice: $ref: '#/components/schemas/TypedLatticeDict' sites: items: $ref: '#/components/schemas/TypedSiteDict' type: array title: Sites properties: anyOf: - $ref: '#/components/schemas/TypedAggregateProperitesDict' - type: 'null' type: object required: - '@module' - '@class' - lattice - sites title: TypedStructureDict TypedBandDict: properties: band_index: additionalProperties: items: type: integer type: array type: object title: Band Index kpoint_index: items: type: integer type: array title: Kpoint Index kpoint: $ref: '#/components/schemas/TypedKpointDict' title: Kpoint energy: type: number title: Energy projections: additionalProperties: items: items: type: number type: array type: array type: object title: Projections type: object required: - band_index - kpoint_index - kpoint - energy - projections title: TypedBandDict description: Type def for data stored for cbms or vbms DecompositionProduct: properties: material_id: anyOf: - type: string pattern: ^([A-Za-z]+-)?(\d+)(-[A-Za-z0-9]+)*$ examples: - mp-3534 - '3453' - mp-834-Ag - type: string examples: - mp-ft - task:pqrs - type: 'null' title: Material Id description: The Materials Project ID for the material this decomposition points to. formula: anyOf: - type: string - type: 'null' title: Formula description: The formula of the decomposed material this material decomposes to. amount: anyOf: - type: number - type: 'null' title: Amount description: The amount of the decomposed material by formula units this this material decomposes to. type: object title: DecompositionProduct description: Entry metadata for a decomposition process Error: properties: code: type: integer title: Code description: The error code message: type: string title: Message description: The description of the error type: object required: - code - message title: Error description: Base Error model for General API. TypedSiteProperitesDict: properties: magmom: anyOf: - type: number - type: 'null' title: Magmom charge: anyOf: - type: number - type: 'null' title: Charge velocities: anyOf: - prefixItems: - type: number - type: number - type: number type: array maxItems: 3 minItems: 3 - type: 'null' title: Velocities selective_dynamics: anyOf: - prefixItems: - type: boolean - type: boolean - type: boolean type: array maxItems: 3 minItems: 3 - type: 'null' title: Selective Dynamics coordination_no: anyOf: - type: integer - type: 'null' title: Coordination No forces: anyOf: - items: type: number type: array - type: 'null' title: Forces type: object title: TypedSiteProperitesDict Ordering: type: string enum: - FM - AFM - FiM - NM - Unknown title: Ordering description: Enumeration defining possible magnetic orderings. ValidationError: properties: loc: items: anyOf: - type: string - type: integer type: array title: Location msg: type: string title: Message type: type: string title: Error Type input: title: Input ctx: type: object title: Context type: object required: - loc - msg - type title: ValidationError SymmetryData: properties: crystal_system: anyOf: - type: string - type: 'null' title: Crystal System description: The crystal system for this lattice. symbol: anyOf: - type: string - type: 'null' title: Space Group Symbol description: The spacegroup symbol for the lattice. hall: anyOf: - type: string - type: 'null' title: Hall Symbol description: Hall symbol for the lattice number: anyOf: - type: integer - type: 'null' title: Space Group Number description: The spacegroup number for the lattice. point_group: anyOf: - type: string - type: 'null' title: Point Group Symbol description: The point group for the lattice. symprec: anyOf: - type: number - type: 'null' title: Symmetry Finding Precision description: The precision provided to spglib to determine the symmetry of this structure. angle_tolerance: anyOf: - type: number - type: 'null' title: Angle Tolerance description: Angle tolerance provided to spglib to determine the symmetry of this structure. version: anyOf: - type: string - type: 'null' title: spglib version type: object title: SymmetryData description: Defines a symmetry data set for materials documents PropertyOrigin: properties: name: type: string title: Name description: The property name task_id: anyOf: - type: string pattern: ^([A-Za-z]+-)?(\d+)(-[A-Za-z0-9]+)*$ examples: - mp-3534 - '3453' - mp-834-Ag - type: string examples: - mp-ft - task:pqrs title: Task Id description: The calculation ID this property comes from. last_updated: type: string format: date-time title: Last Updated description: The timestamp when this calculation was last updated type: object required: - name - task_id title: PropertyOrigin description: Provenance document for the origin of properties in a material document SummaryDoc: properties: builder_meta: anyOf: - $ref: '#/components/schemas/EmmetMeta' - type: 'null' description: Builder metadata. nsites: anyOf: - type: integer - type: 'null' title: Nsites description: Total number of sites in the structure. elements: anyOf: - items: type: string type: array - type: 'null' title: Elements description: List of elements in the material. nelements: anyOf: - type: integer - type: 'null' title: Nelements description: Number of elements. composition: anyOf: - additionalProperties: type: number type: object - type: 'null' title: Composition description: Full composition for the material. composition_reduced: anyOf: - additionalProperties: type: number type: object - type: 'null' title: Reduced Composition description: Simplified representation of the composition. formula_pretty: anyOf: - type: string - type: 'null' title: Pretty Formula description: Cleaned representation of the formula. formula_anonymous: anyOf: - type: string - type: 'null' title: Anonymous Formula description: Anonymized representation of the formula. chemsys: anyOf: - type: string - type: 'null' title: Chemical System description: Dash-separated string of elements in the material. volume: anyOf: - type: number - type: 'null' title: Volume description: Total volume for this structure in ų. density: anyOf: - type: number - type: 'null' title: Density description: Density in g/cm³. density_atomic: anyOf: - type: number - type: 'null' title: Packing Density description: The atomic packing density in ų/atom. symmetry: anyOf: - $ref: '#/components/schemas/SymmetryData' - type: 'null' description: Symmetry data for this material. material_id: anyOf: - type: string pattern: ^([A-Za-z]+-)?(\d+)(-[A-Za-z0-9]+)*$ examples: - mp-3534 - '3453' - mp-834-Ag - type: string examples: - mp-ft - task:pqrs - type: 'null' title: Material Id description: 'The Materials Project ID of the material, used as a universal reference across property documents.This comes in the form: mp-******.' deprecated: type: boolean title: Deprecated description: Whether this property document is deprecated. default: true deprecation_reasons: anyOf: - items: type: string type: array - type: 'null' title: Deprecation Reasons description: List of deprecation tags detailing why this document isn't valid. last_updated: type: string format: date-time title: Last Updated description: Timestamp for the most recent calculation update for this property. origins: anyOf: - items: $ref: '#/components/schemas/PropertyOrigin' type: array - type: 'null' title: Origins description: Dictionary for tracking the provenance of properties. warnings: items: type: string type: array title: Warnings description: Any warnings related to this property. default: [] structure: $ref: '#/components/schemas/TypedStructureDict' title: Structure description: The lowest energy structure for this material. property_name: type: string title: Property Name default: summary task_ids: items: anyOf: - type: string pattern: ^([A-Za-z]+-)?(\d+)(-[A-Za-z0-9]+)*$ examples: - mp-3534 - '3453' - mp-834-Ag - type: string examples: - mp-ft - task:pqrs type: array title: Calculation IDs description: List of Calculations IDs associated with this material. default: [] uncorrected_energy_per_atom: anyOf: - type: number - type: 'null' title: Uncorrected Energy Per Atom description: The total DFT energy of this material per atom in eV/atom. energy_per_atom: anyOf: - type: number - type: 'null' title: Energy Per Atom description: The total corrected DFT energy of this material per atom in eV/atom. formation_energy_per_atom: anyOf: - type: number - type: 'null' title: Formation Energy Per Atom description: The formation energy per atom in eV/atom. energy_above_hull: anyOf: - type: number - type: 'null' title: Energy Above Hull description: The energy above the hull in eV/Atom. is_stable: type: boolean title: Is Stable description: Flag for whether this material is on the hull and therefore stable. default: false equilibrium_reaction_energy_per_atom: anyOf: - type: number - type: 'null' title: Equilibrium Reaction Energy Per Atom description: The reaction energy of a stable entry from the neighboring equilibrium stable materials in eV. Also known as the inverse distance to hull. decomposes_to: anyOf: - items: $ref: '#/components/schemas/DecompositionProduct' type: array - type: 'null' title: Decomposes To description: List of decomposition data for this material. Only valid for metastable or unstable material. xas: anyOf: - items: $ref: '#/components/schemas/XASSearchData' type: array - type: 'null' title: Xas description: List of xas documents. grain_boundaries: anyOf: - items: $ref: '#/components/schemas/GBSearchData' type: array - type: 'null' title: Grain Boundaries description: List of grain boundary documents. band_gap: anyOf: - type: number - type: 'null' title: Band Gap description: Band gap energy in eV. cbm: anyOf: - type: number - type: 'null' title: Cbm description: Conduction band minimum data. vbm: anyOf: - type: number - type: 'null' title: Vbm description: Valence band maximum data. efermi: anyOf: - type: number - type: 'null' title: Efermi description: Fermi energy in eV. is_gap_direct: anyOf: - type: boolean - type: 'null' title: Is Gap Direct description: Whether the band gap is direct. is_metal: anyOf: - type: boolean - type: 'null' title: Is Metal description: Whether the material is a metal. es_source_calc_id: anyOf: - type: string pattern: ^([A-Za-z]+-)?(\d+)(-[A-Za-z0-9]+)*$ examples: - mp-3534 - '3453' - mp-834-Ag - type: string examples: - mp-ft - task:pqrs - type: 'null' title: Es Source Calc Id description: The source calculation ID for the electronic structure data. bandstructure: anyOf: - $ref: '#/components/schemas/BandstructureData' - type: 'null' description: Band structure data for the material. dos: anyOf: - $ref: '#/components/schemas/DosData' - type: 'null' description: Density of states data for the material. dos_energy_up: anyOf: - type: number - type: 'null' title: Dos Energy Up description: Spin-up DOS band gap in eV. dos_energy_down: anyOf: - type: number - type: 'null' title: Dos Energy Down description: Spin-down DOS band gap in eV. is_magnetic: anyOf: - type: boolean - type: 'null' title: Is Magnetic description: Whether the material is magnetic. ordering: anyOf: - type: string - type: 'null' title: Ordering description: Type of magnetic ordering. total_magnetization: anyOf: - type: number - type: 'null' title: Total Magnetization description: Total magnetization in μB. total_magnetization_normalized_vol: anyOf: - type: number - type: 'null' title: Total Magnetization Normalized Vol description: Total magnetization normalized by volume in μB/ų. total_magnetization_normalized_formula_units: anyOf: - type: number - type: 'null' title: Total Magnetization Normalized Formula Units description: Total magnetization normalized by formula unit in μB/f.u. . num_magnetic_sites: anyOf: - type: integer - type: 'null' title: Num Magnetic Sites description: The number of magnetic sites. num_unique_magnetic_sites: anyOf: - type: integer - type: 'null' title: Num Unique Magnetic Sites description: The number of unique magnetic sites. types_of_magnetic_species: anyOf: - items: type: string type: array - type: 'null' title: Types Of Magnetic Species description: Magnetic specie elements. bulk_modulus: anyOf: - additionalProperties: type: number type: object - type: 'null' title: Bulk Modulus description: Voigt, Reuss, and Voigt-Reuss-Hill averages of the bulk modulus in GPa. shear_modulus: anyOf: - additionalProperties: type: number type: object - type: 'null' title: Shear Modulus description: Voigt, Reuss, and Voigt-Reuss-Hill averages of the shear modulus in GPa. universal_anisotropy: anyOf: - type: number - type: 'null' title: Universal Anisotropy description: Elastic anisotropy. homogeneous_poisson: anyOf: - type: number - type: 'null' title: Homogeneous Poisson description: Poisson's ratio. e_total: anyOf: - type: number - type: 'null' title: E Total description: Total dielectric constant. e_ionic: anyOf: - type: number - type: 'null' title: E Ionic description: Ionic contribution to dielectric constant. e_electronic: anyOf: - type: number - type: 'null' title: E Electronic description: Electronic contribution to dielectric constant. n: anyOf: - type: number - type: 'null' title: N description: Refractive index. e_ij_max: anyOf: - type: number - type: 'null' title: E Ij Max description: Piezoelectric modulus. weighted_surface_energy_EV_PER_ANG2: anyOf: - type: number - type: 'null' title: Weighted Surface Energy Ev Per Ang2 description: Weighted surface energy in eV/Ų. weighted_surface_energy: anyOf: - type: number - type: 'null' title: Weighted Surface Energy description: Weighted surface energy in J/m². weighted_work_function: anyOf: - type: number - type: 'null' title: Weighted Work Function description: Weighted work function in eV. surface_anisotropy: anyOf: - type: number - type: 'null' title: Surface Anisotropy description: Surface energy anisotropy. shape_factor: anyOf: - type: number - type: 'null' title: Shape Factor description: Shape factor. has_reconstructed: anyOf: - type: boolean - type: 'null' title: Has Reconstructed description: Whether the material has any reconstructed surfaces. possible_species: anyOf: - items: type: string type: array - type: 'null' title: Possible Species description: Possible charged species in this material. has_props: anyOf: - additionalProperties: type: boolean type: object - type: 'null' title: Has Props description: List of properties that are available for a given material. theoretical: type: boolean title: Theoretical description: Whether the material is theoretical. default: true database_IDs: additionalProperties: items: type: string type: array type: object title: Database Ids description: External database IDs corresponding to this material. default: {} type: object required: - structure title: SummaryDoc description: 'Summary information about materials and their properties, useful for materials screening studies and searching.' TypedLatticeDict: properties: matrix: items: items: type: number type: array type: array title: Matrix pbc: anyOf: - prefixItems: - type: boolean - type: boolean - type: boolean type: array maxItems: 3 minItems: 3 - type: 'null' title: Pbc a: type: number title: A b: type: number title: B c: type: number title: C alpha: type: number title: Alpha beta: type: number title: Beta gamma: type: number title: Gamma volume: type: number title: Volume type: object required: - matrix - a - b - c - alpha - beta - gamma - volume title: TypedLatticeDict GBSearchData: properties: sigma: anyOf: - type: integer - type: 'null' title: Sigma description: Sigma value of the boundary. type: anyOf: - type: string - type: 'null' title: Type description: Grain boundary type. gb_energy: anyOf: - type: number - type: 'null' title: Gb Energy description: Grain boundary energy in J/m^2. rotation_angle: anyOf: - type: number - type: 'null' title: Rotation Angle description: Rotation angle in degrees. type: object title: GBSearchData description: Fields in grain boundary sub docs in summary XASSearchData: properties: edge: anyOf: - type: string - type: 'null' title: Absorption Edge description: The interaction edge for XAS absorbing_element: anyOf: - type: string - type: 'null' title: Absorbing Element description: Absorbing element. spectrum_type: anyOf: - type: string - type: 'null' title: Spectrum Type description: Type of XAS spectrum. type: object title: XASSearchData description: Fields in XAS sub docs in summary MSONableTypedLatticeDict: properties: '@module': type: string title: '@Module' '@class': type: string title: '@Class' matrix: items: items: type: number type: array type: array title: Matrix pbc: prefixItems: - type: boolean - type: boolean - type: boolean type: array maxItems: 3 minItems: 3 title: Pbc a: type: number title: A b: type: number title: B c: type: number title: C alpha: type: number title: Alpha beta: type: number title: Beta gamma: type: number title: Gamma volume: type: number title: Volume type: object required: - '@module' - '@class' - matrix - pbc - a - b - c - alpha - beta - gamma - volume title: MSONableTypedLatticeDict BandstructureData: properties: setyawan_curtarolo: anyOf: - $ref: '#/components/schemas/BandStructureSummaryData' - type: 'null' description: Band structure summary data using the Setyawan-Curtarolo path convention. hinuma: anyOf: - $ref: '#/components/schemas/BandStructureSummaryData' - type: 'null' description: Band structure summary data using the Hinuma et al. path convention. latimer_munro: anyOf: - $ref: '#/components/schemas/BandStructureSummaryData' - type: 'null' description: Band structure summary data using the Latimer-Munro path convention. type: object title: BandstructureData securitySchemes: ApiKeyAuth: descriptions: MP API key to authorize requests name: X-API-KEY in: header type: apiKey