naftiko: 1.0.0-alpha2 info: label: Materials Project API — Materials Electronic Structure description: 'Materials Project API — Materials Electronic Structure. 4 operations. Lead operation: Get ElectronicStructureDoc documents. Self-contained Naftiko capability covering one Materials Project business surface.' tags: - Materials Project - Materials Electronic Structure created: '2026-05-19' modified: '2026-05-19' binds: - namespace: env keys: MATERIALS_PROJECT_API_KEY: MATERIALS_PROJECT_API_KEY capability: consumes: - type: http namespace: materials-project-materials-electronic-structure baseUri: '' description: Materials Project API — Materials Electronic Structure business capability. Self-contained, no shared references. resources: - name: materials-electronic_structure path: /materials/electronic_structure/ operations: - name: searchmaterialselectronicstructureget method: GET description: Get ElectronicStructureDoc documents outputRawFormat: json outputParameters: - name: result type: object value: $. 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`' - name: _all_fields in: query type: boolean description: Include all fields. - name: materials-electronic_structure-bandstructure path: /materials/electronic_structure/bandstructure/ operations: - name: searchmaterialselectronicstructurebandstructureget method: GET description: Get ElectronicStructureDoc documents outputRawFormat: json outputParameters: - name: result type: object value: $. 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`' - name: _all_fields in: query type: boolean description: Include all fields. - name: materials-electronic_structure-dos path: /materials/electronic_structure/dos/ operations: - name: searchmaterialselectronicstructuredosget method: GET description: Get ElectronicStructureDoc documents outputRawFormat: json outputParameters: - name: result type: object value: $. 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`' - name: _all_fields in: query type: boolean description: Include all fields. - name: materials-fermi path: /materials/fermi/ operations: - name: searchmaterialsfermiget method: GET description: Get FermiDoc documents outputRawFormat: json outputParameters: - name: result type: object value: $. 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_up' - name: _all_fields in: query type: boolean description: Include all fields. authentication: type: apikey key: X-API-KEY value: '{{env.MATERIALS_PROJECT_API_KEY}}' placement: header exposes: - type: rest namespace: materials-project-materials-electronic-structure-rest port: 8080 description: REST adapter for Materials Project API — Materials Electronic Structure. One Spectral-compliant resource per consumed operation, prefixed with /v1. resources: - path: /v1/materials/electronic-structure name: materials-electronic-structure description: REST surface for materials-electronic_structure. operations: - method: GET name: searchmaterialselectronicstructureget description: Get ElectronicStructureDoc documents call: materials-project-materials-electronic-structure.searchmaterialselectronicstructureget with: material_ids: rest.material_ids magnetic_ordering: rest.magnetic_ordering is_gap_direct: rest.is_gap_direct is_metal: rest.is_metal formula: rest.formula chemsys: rest.chemsys elements: rest.elements exclude_elements: rest.exclude_elements band_gap_max: rest.band_gap_max band_gap_min: rest.band_gap_min cbm_max: rest.cbm_max cbm_min: rest.cbm_min vbm_max: rest.vbm_max vbm_min: rest.vbm_min efermi_max: rest.efermi_max efermi_min: rest.efermi_min nsites_max: rest.nsites_max nsites_min: rest.nsites_min nsites: rest.nsites nsites_not_eq: rest.nsites_not_eq nsites_eq_any: rest.nsites_eq_any nsites_neq_any: rest.nsites_neq_any nelements_max: rest.nelements_max nelements_min: rest.nelements_min nelements: rest.nelements nelements_not_eq: rest.nelements_not_eq nelements_eq_any: rest.nelements_eq_any nelements_neq_any: rest.nelements_neq_any volume_max: rest.volume_max volume_min: rest.volume_min density_max: rest.density_max density_min: rest.density_min density_atomic_max: rest.density_atomic_max density_atomic_min: rest.density_atomic_min deprecated: rest.deprecated _page: rest._page _per_page: rest._per_page _skip: rest._skip _limit: rest._limit _fields: rest._fields _all_fields: rest._all_fields outputParameters: - type: object mapping: $. - path: /v1/materials/electronic-structure/bandstructure name: materials-electronic-structure-bandstructure description: REST surface for materials-electronic_structure-bandstructure. operations: - method: GET name: searchmaterialselectronicstructurebandstructureget description: Get ElectronicStructureDoc documents call: materials-project-materials-electronic-structure.searchmaterialselectronicstructurebandstructureget with: path_type: rest.path_type band_gap_max: rest.band_gap_max band_gap_min: rest.band_gap_min efermi_max: rest.efermi_max efermi_min: rest.efermi_min magnetic_ordering: rest.magnetic_ordering is_gap_direct: rest.is_gap_direct is_metal: rest.is_metal deprecated: rest.deprecated _page: rest._page _per_page: rest._per_page _skip: rest._skip _limit: rest._limit _fields: rest._fields _all_fields: rest._all_fields outputParameters: - type: object mapping: $. - path: /v1/materials/electronic-structure/dos name: materials-electronic-structure-dos description: REST surface for materials-electronic_structure-dos. operations: - method: GET name: searchmaterialselectronicstructuredosget description: Get ElectronicStructureDoc documents call: materials-project-materials-electronic-structure.searchmaterialselectronicstructuredosget with: projection_type: rest.projection_type spin: rest.spin element: rest.element orbital: rest.orbital band_gap_max: rest.band_gap_max band_gap_min: rest.band_gap_min efermi_max: rest.efermi_max efermi_min: rest.efermi_min magnetic_ordering: rest.magnetic_ordering deprecated: rest.deprecated _page: rest._page _per_page: rest._per_page _skip: rest._skip _limit: rest._limit _fields: rest._fields _all_fields: rest._all_fields outputParameters: - type: object mapping: $. - path: /v1/materials/fermi name: materials-fermi description: REST surface for materials-fermi. operations: - method: GET name: searchmaterialsfermiget description: Get FermiDoc documents call: materials-project-materials-electronic-structure.searchmaterialsfermiget with: material_ids: rest.material_ids _page: rest._page _per_page: rest._per_page _skip: rest._skip _limit: rest._limit _fields: rest._fields _all_fields: rest._all_fields outputParameters: - type: object mapping: $. - type: mcp namespace: materials-project-materials-electronic-structure-mcp port: 9090 transport: http description: MCP adapter for Materials Project API — Materials Electronic Structure. One tool per consumed operation, routed inline through this capability's consumes block. tools: - name: get-electronicstructuredoc-documents description: Get ElectronicStructureDoc documents hints: readOnly: true destructive: false idempotent: true call: materials-project-materials-electronic-structure.searchmaterialselectronicstructureget 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 outputParameters: - type: object mapping: $. - name: get-electronicstructuredoc-documents-2 description: Get ElectronicStructureDoc documents hints: readOnly: true destructive: false idempotent: true call: materials-project-materials-electronic-structure.searchmaterialselectronicstructurebandstructureget 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 outputParameters: - type: object mapping: $. - name: get-electronicstructuredoc-documents-3 description: Get ElectronicStructureDoc documents hints: readOnly: true destructive: false idempotent: true call: materials-project-materials-electronic-structure.searchmaterialselectronicstructuredosget 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 outputParameters: - type: object mapping: $. - name: get-fermidoc-documents description: Get FermiDoc documents hints: readOnly: true destructive: false idempotent: true call: materials-project-materials-electronic-structure.searchmaterialsfermiget 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 outputParameters: - type: object mapping: $.