openapi: 3.1.0
info:
  title: Materials Project Defect Tasks Materials Electronic Structure 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 <heavy.api.use@materialsproject.org>. 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 <https://next-gen.materialsproject.org/api>.\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 Electronic Structure
  description: Routes providing computed electronic structure related data for a material such as             band gap and fermi level. Python objects for line-mode band structures, density of states, and             fermi surfaces are also available. This data was obtained following the methodology discussed by             [Munro *et al.*](https://doi.org/10.1038/s41524-020-00383-7) and [Ganose *et al.*](https://doi.org/10.21105/joss.03089)             Note that full band structure, density of states, and fermi surface data has not been calculated for             all materials in the Materials Project database. See the `ElectronicStructureDoc` and `FermiDoc` schema             for a full list of fields returned by the associated routes.
  externalDocs:
    description: For a more detailed description
    url: https://docs.materialsproject.org/methodology/electronic-structure
paths:
  /materials/fermi/:
    get:
      tags:
      - Materials Electronic Structure
      summary: Get FermiDoc documents
      operationId: search_materials_fermi__get
      parameters:
      - name: material_ids
        in: query
        required: false
        schema:
          anyOf:
          - type: string
          - type: 'null'
          description: Comma-separated list of material_id values to query on
          title: Material Ids
        description: Comma-separated list of material_id values to query on
      - 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 FermiDoc as a list of comma separated strings.                    Fields include: `fermi_surfaces` `surface_types` `material_id` `last_updated`'
          title: ' Fields'
        description: 'Fields to project from FermiDoc as a list of comma separated strings.                    Fields include: `fermi_surfaces` `surface_types` `material_id` `last_updated`'
      - name: _all_fields
        in: query
        required: false
        schema:
          type: boolean
          description: Include all fields.
          default: false
          title: ' All Fields'
        description: Include all fields.
      responses:
        '200':
          description: Search for a FermiDoc
          content:
            application/json:
              schema:
                $ref: '#/components/schemas/Response_FermiDoc_'
        '422':
          description: Validation Error
          content:
            application/json:
              schema:
                $ref: '#/components/schemas/HTTPValidationError'
  /materials/electronic_structure/bandstructure/:
    get:
      tags:
      - Materials Electronic Structure
      summary: Get ElectronicStructureDoc documents
      operationId: search_materials_electronic_structure_bandstructure__get
      parameters:
      - name: path_type
        in: query
        required: false
        schema:
          anyOf:
          - type: string
          - type: 'null'
          description: k-path selection convention for the band structure.
          title: Path Type
        description: k-path selection convention for the band structure.
      - name: band_gap_max
        in: query
        required: false
        schema:
          anyOf:
          - type: number
          - type: 'null'
          description: Maximum value for the band gap energy in eV.
          title: Band Gap Max
        description: Maximum value for the band gap energy in eV.
      - name: band_gap_min
        in: query
        required: false
        schema:
          anyOf:
          - type: number
          - type: 'null'
          description: Minimum value for the band gap energy in eV.
          title: Band Gap Min
        description: Minimum value for the band gap energy in eV.
      - name: efermi_max
        in: query
        required: false
        schema:
          anyOf:
          - type: number
          - type: 'null'
          description: Maximum value for the fermi energy in eV.
          title: Efermi Max
        description: Maximum value for the fermi energy in eV.
      - name: efermi_min
        in: query
        required: false
        schema:
          anyOf:
          - type: number
          - type: 'null'
          description: Minimum value for the fermi energy in eV.
          title: Efermi Min
        description: Minimum value for the fermi energy in eV.
      - name: magnetic_ordering
        in: query
        required: false
        schema:
          anyOf:
          - $ref: '#/components/schemas/Ordering'
          - type: 'null'
          description: Magnetic ordering associated with the data.
          title: Magnetic Ordering
        description: Magnetic ordering associated with the data.
      - 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: 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 ElectronicStructureDoc as a list of comma separated strings.                    Fields include: `task_id` `band_gap` `cbm` `vbm` `efermi` `is_gap_direct` `is_metal` `magnetic_ordering` `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` `bandstructure` `dos`'
          title: ' Fields'
        description: 'Fields to project from ElectronicStructureDoc as a list of comma separated strings.                    Fields include: `task_id` `band_gap` `cbm` `vbm` `efermi` `is_gap_direct` `is_metal` `magnetic_ordering` `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` `bandstructure` `dos`'
      - name: _all_fields
        in: query
        required: false
        schema:
          type: boolean
          description: Include all fields.
          default: false
          title: ' All Fields'
        description: Include all fields.
      responses:
        '200':
          description: Search for a ElectronicStructureDoc
          content:
            application/json:
              schema:
                $ref: '#/components/schemas/Response_ElectronicStructureDoc_'
        '422':
          description: Validation Error
          content:
            application/json:
              schema:
                $ref: '#/components/schemas/HTTPValidationError'
  /materials/electronic_structure/dos/:
    get:
      tags:
      - Materials Electronic Structure
      summary: Get ElectronicStructureDoc documents
      operationId: search_materials_electronic_structure_dos__get
      parameters:
      - name: projection_type
        in: query
        required: false
        schema:
          anyOf:
          - type: string
          - type: 'null'
          description: Projection type for the density of states data.
          title: Projection Type
        description: Projection type for the density of states data.
      - name: spin
        in: query
        required: false
        schema:
          anyOf:
          - enum:
            - '1'
            - '-1'
            type: string
          - $ref: '#/components/schemas/Spin'
          - type: 'null'
          description: Spin channel for density of states data. '1' corresponds to spin up.
          title: Spin
        description: Spin channel for density of states data. '1' corresponds to spin up.
      - name: element
        in: query
        required: false
        schema:
          anyOf:
          - $ref: '#/components/schemas/Element'
          - type: 'null'
          description: Element type for projected density of states data.
          title: Element
        description: Element type for projected density of states data.
      - name: orbital
        in: query
        required: false
        schema:
          anyOf:
          - $ref: '#/components/schemas/OrbitalType'
          - type: 'null'
          description: Orbital type for projected density of states data.
          title: Orbital
        description: Orbital type for projected density of states data.
      - name: band_gap_max
        in: query
        required: false
        schema:
          anyOf:
          - type: number
          - type: 'null'
          description: Maximum value for the band gap energy in eV.
          title: Band Gap Max
        description: Maximum value for the band gap energy in eV.
      - name: band_gap_min
        in: query
        required: false
        schema:
          anyOf:
          - type: number
          - type: 'null'
          description: Minimum value for the band gap energy in eV.
          title: Band Gap Min
        description: Minimum value for the band gap energy in eV.
      - name: efermi_max
        in: query
        required: false
        schema:
          anyOf:
          - type: number
          - type: 'null'
          description: Maximum value for the fermi energy in eV.
          title: Efermi Max
        description: Maximum value for the fermi energy in eV.
      - name: efermi_min
        in: query
        required: false
        schema:
          anyOf:
          - type: number
          - type: 'null'
          description: Minimum value for the fermi energy in eV.
          title: Efermi Min
        description: Minimum value for the fermi energy in eV.
      - name: magnetic_ordering
        in: query
        required: false
        schema:
          anyOf:
          - $ref: '#/components/schemas/Ordering'
          - type: 'null'
          description: Magnetic ordering associated with the data.
          title: Magnetic Ordering
        description: Magnetic ordering associated with the data.
      - 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 ElectronicStructureDoc as a list of comma separated strings.                    Fields include: `task_id` `band_gap` `cbm` `vbm` `efermi` `is_gap_direct` `is_metal` `magnetic_ordering` `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` `bandstructure` `dos`'
          title: ' Fields'
        description: 'Fields to project from ElectronicStructureDoc as a list of comma separated strings.                    Fields include: `task_id` `band_gap` `cbm` `vbm` `efermi` `is_gap_direct` `is_metal` `magnetic_ordering` `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` `bandstructure` `dos`'
      - name: _all_fields
        in: query
        required: false
        schema:
          type: boolean
          description: Include all fields.
          default: false
          title: ' All Fields'
        description: Include all fields.
      responses:
        '200':
          description: Search for a ElectronicStructureDoc
          content:
            application/json:
              schema:
                $ref: '#/components/schemas/Response_ElectronicStructureDoc_'
        '422':
          description: Validation Error
          content:
            application/json:
              schema:
                $ref: '#/components/schemas/HTTPValidationError'
  /materials/electronic_structure/:
    get:
      tags:
      - Materials Electronic Structure
      summary: Get ElectronicStructureDoc documents
      operationId: search_materials_electronic_structure__get
      parameters:
      - name: material_ids
        in: query
        required: false
        schema:
          anyOf:
          - type: string
          - type: 'null'
          description: Comma-separated list of material_id values to query on
          title: Material Ids
        description: Comma-separated list of material_id values to query on
      - name: magnetic_ordering
        in: query
        required: false
        schema:
          anyOf:
          - $ref: '#/components/schemas/Ordering'
          - type: 'null'
          description: Magnetic ordering associated with the data.
          title: Magnetic Ordering
        description: Magnetic ordering associated with the data.
      - 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: 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: band_gap_max
        in: query
        required: false
        schema:
          type: number
          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:
          type: number
          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: 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: 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 ElectronicStructureDoc as a list of comma separated strings.                    Fields include: `task_id` `band_gap` `cbm` `vbm` `efermi` `is_gap_direct` `is_metal` `magnetic_ordering` `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` `bandstructure` `dos`'
          title: ' Fields'
        description: 'Fields to project from ElectronicStructureDoc as a list of comma separated strings.                    Fields include: `task_id` `band_gap` `cbm` `vbm` `efermi` `is_gap_direct` `is_metal` `magnetic_ordering` `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` `bandstructure` `dos`'
      - name: _all_fields
        in: query
        required: false
        schema:
          type: boolean
          description: Include all fields.
          default: false
          title: ' All Fields'
        description: Include all fields.
      responses:
        '200':
          description: Search for a ElectronicStructureDoc
          content:
            application/json:
              schema:
                $ref: '#/components/schemas/Response_ElectronicStructureDoc_'
        '422':
          description: Validation Error
          content:
            application/json:
              schema:
                $ref: '#/components/schemas/HTTPValidationError'
components:
  schemas:
    EmmetMeta:
      properties:
        emmet_version:
          anyOf:
          - type: string
          - type: 'null'
          title: Emmet Version
          description: The version of emmet this document was built with.
          default: 0.86.4rc4
        pymatgen_version:
          anyOf:
          - type: string
          - type: 'null'
          title: Pymatgen Version
          description: The version of pymatgen this document was built with.
          default: 2026.4.16
        run_id:
          anyOf:
          - type: string
          - type: 'null'
          title: Run Id
          description: The run id associated with this data build.
        batch_id:
          anyOf:
          - type: string
          - type: 'null'
          title: Batch Id
          description: Identifier corresponding to the origin of this document's blessed task.
        database_version:
          anyOf:
          - type: string
          - type: 'null'
          title: Database Version
          description: The database version for the built data.
        build_date:
          anyOf:
          - type: string
            format: date-time
          - type: 'null'
          title: Build Date
          description: The build date for this document.
        license:
          anyOf:
          - type: string
            enum:
            - BY-C
            - BY-NC
          - type: 'null'
          title: License
          description: License for the data entry.
      type: object
      title: EmmetMeta
      description: Default emmet metadata.
    ElectronicStructureDoc:
      properties:
        task_id:
          anyOf:
          - type: string
            pattern: ^([A-Za-z]+-)?(\d+)(-[A-Za-z0-9]+)*$
            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.
        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.
        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: []
        property_name:
          type: string
          title: Property Name
          default: electronic_structure
        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.
      type: object
      required:
      - task_id
      - band_gap
      - is_gap_direct
      - is_metal
      - magnetic_ordering
      title: ElectronicStructureDoc
      description: Definition for a core Electronic Structure Document
    OrbitalType:
      type: integer
      enum:
      - 0
      - 1
      - 2
      - 3
      title: OrbitalType
      description: Enum type for orbital type. Indices are the azimuthal quantum number l.
    Spin:
      type: integer
      enum:
      - 1
      - -1
      title: Spin
      description: 'Enum type for Spin. Only up and down. Usage: Spin.up, Spin.down.'
    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
    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.
    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
    Response_ElectronicStructureDoc_:
      properties:
        data:
          anyOf:
          - items:
              $ref: '#/components/schemas/ElectronicStructureDoc'
            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:
          - $ref: '#/components/schemas/Meta'
          - type: 'null'
          description: Extra information for the query
      type: object
      title: Response[ElectronicStructureDoc]
    BandStructureSummaryData:
      properties:
        task_id:
          anyOf:
          - type: string
            pattern: ^([A-Za-z]+-)?(\d+)(-[A-Za-z0-9]+)*$
            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.
    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
    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.
    Element:
      type: string
      enum:
      - H
      - D
      - T
      - He
      - Li
      - Be
      - B
      - C
      - N
      - O
      - F
      - Ne
      - Na
      - Mg
      - Al
      - Si
      - P
      - S
      - Cl
      - Ar
      - K
      - Ca
      - Sc
      - Ti
      - V
      - Cr
      - Mn
      - Fe
      - Co
      - Ni
      - Cu
      - Zn
      - Ga
      - Ge
      - As
      - Se
      - Br
      - Kr
      - Rb
      - Sr
      - Y
      - Zr
      - Nb
      - Mo
      - Tc
      - Ru
      - Rh
      - Pd
      - Ag
      - Cd
      - In
      - Sn
      - Sb
      - Te
      - I
      - Xe
      - Cs
      - Ba
      - La
      - Ce
      - Pr
      - Nd
      - Pm
      - Sm
      - Eu
      - Gd
      - Tb
      - Dy
      - Ho
      - Er
      - Tm
      - Yb
      - Lu
      - Hf
      - Ta
      - W
      - Re
      - Os
      - Ir
      - Pt
      - Au
      - Hg
      - Tl
      - Pb
      - Bi
      - Po
      - At
      - Rn
      - Fr
      - Ra
      - Ac
      - Th
      - Pa
      - U
      - Np
      - Pu
      - Am
      - Cm
      - Bk
      - Cf
      - Es
      - Fm
      - Md
      - 'No'
      - Lr
      - Rf
      - Db
      - Sg
      - Bh
      - Hs
      - Mt
      - Ds
      - Rg
      - Cn
      - Nh
      - Fl
      - Mc
      - Lv
      - Ts
      - Og
      title: Element
      description: Enum representing an element in the periodic table.
    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
    FermiDoc:
      properties:
        fermi_surfaces:
          anyOf:
          - items:
              additionalProperties: true
              type: object
            type: array
          - type: 'null'
          title: Fermi Surfaces
          description: List of IFermi FermiSurface objects.
        surface_types:
          anyOf:
          - items:
              type: string
            type: array
          - type: 'null'
          title: Surface Types
          description: Type of each fermi surface in the fermi_surfaces list.            Is either CBM or VBM for semiconductors, or fermi_surface for metals.
        material_id:
          anyOf:
          - type: string
          - type: 'null'
          title: Material Id
          description: 'The Materials Project ID of the material. This comes in the form: mp-******.'
        last_updated:
          type: string
          format: date-time
          title: Last Updated
          description: Timestamp for the most recent calculation for this fermi surface document.
      type: object
      title: FermiDoc
      description: Fermi surfaces.
    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
    Response_FermiDoc_:
      properties:
        data:
          anyOf:
          - items:
              $ref: '#/components/schemas/FermiDoc'
            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[FermiDoc]
    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