Materials Project API — Materials Electronic Structure

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: $.