Materials Project Materials Alloys API

openapi: 3.1.0
info:
  title: Materials Project Defect Tasks Materials Alloys 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 Alloys
  description: Route for retrevial of information about which hypothetical alloy(s) a given material might belong to, following the methodolgy discussed by [Woods-Robinson, Horton and Persson](https://arxiv.org/pdf/2206.10715).
paths:
  /materials/alloys/:
    get:
      tags:
      - Materials Alloys
      summary: Get AlloyPairDoc documents
      operationId: search_materials_alloys__get
      parameters:
      - name: material_ids
        in: query
        required: false
        schema:
          anyOf:
          - type: string
          - type: 'null'
          description: Comma-separated list of material_ids to query on
          title: Material Ids
        description: Comma-separated list of material_ids to query on
      - name: formulae
        in: query
        required: false
        schema:
          anyOf:
          - type: string
          - type: 'null'
          description: Comma-separated list of end-point formulas to query.
          title: Formulae
        description: Comma-separated list of end-point formulas to query.
      - 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 AlloyPairDoc as a list of comma separated strings.                    Fields include: `builder_meta` `alloy_pair` `pair_id`'
          title: ' Fields'
        description: 'Fields to project from AlloyPairDoc as a list of comma separated strings.                    Fields include: `builder_meta` `alloy_pair` `pair_id`'
      - name: _all_fields
        in: query
        required: false
        schema:
          type: boolean
          description: Include all fields.
          default: false
          title: ' All Fields'
        description: Include all fields.
      responses:
        '200':
          description: Search for a AlloyPairDoc
          content:
            application/json:
              schema:
                $ref: '#/components/schemas/Response_AlloyPairDoc_'
        '422':
          description: Validation Error
          content:
            application/json:
              schema:
                $ref: '#/components/schemas/HTTPValidationError'
components:
  schemas:
    TypedSiteProperitesDict:
      properties:
        magmom:
          anyOf:
          - type: number
          - type: 'null'
          title: Magmom
        charge:
          anyOf:
          - type: number
          - type: 'null'
          title: Charge
        velocities:
          anyOf:
          - prefixItems:
            - type: number
            - type: number
            - type: number
            type: array
            maxItems: 3
            minItems: 3
          - type: 'null'
          title: Velocities
        selective_dynamics:
          anyOf:
          - prefixItems:
            - type: boolean
            - type: boolean
            - type: boolean
            type: array
            maxItems: 3
            minItems: 3
          - type: 'null'
          title: Selective Dynamics
        coordination_no:
          anyOf:
          - type: integer
          - type: 'null'
          title: Coordination No
        forces:
          anyOf:
          - items:
              type: number
            type: array
          - type: 'null'
          title: Forces
      type: object
      title: TypedSiteProperitesDict
    TypedSupportedPropertiesDict:
      properties:
        energy_above_hull:
          type: number
          title: Energy Above Hull
        formation_energy_per_atom:
          type: number
          title: Formation Energy Per Atom
        band_gap:
          type: number
          title: Band Gap
        is_gap_direct:
          type: boolean
          title: Is Gap Direct
        m_n:
          type: number
          title: M N
        m_p:
          type: number
          title: M P
        theoretical:
          type: boolean
          title: Theoretical
        is_metal:
          type: boolean
          title: Is Metal
      type: object
      required:
      - energy_above_hull
      - formation_energy_per_atom
      - band_gap
      - is_gap_direct
      - m_n
      - m_p
      - theoretical
      - is_metal
      title: TypedSupportedPropertiesDict
    TypedAlloyPairDict:
      properties:
        '@module':
          type: string
          title: '@Module'
        '@class':
          type: string
          title: '@Class'
        '@version':
          type: string
          title: '@Version'
        formula_a:
          type: string
          title: Formula A
        formula_b:
          type: string
          title: Formula B
        structure_a:
          $ref: '#/components/schemas/TypedStructureDict'
        structure_b:
          $ref: '#/components/schemas/TypedStructureDict'
        id_a:
          type: string
          title: Id A
        id_b:
          type: string
          title: Id B
        chemsys:
          type: string
          title: Chemsys
        alloying_element_a:
          type: string
          title: Alloying Element A
        alloying_element_b:
          type: string
          title: Alloying Element B
        alloying_species_a:
          items:
            type: string
          type: array
          title: Alloying Species A
        alloying_species_b:
          items:
            type: string
          type: array
          title: Alloying Species B
        observer_elements:
          items:
            type: string
          type: array
          title: Observer Elements
        observer_species:
          items:
            type: string
          type: array
          title: Observer Species
        anions_a:
          items:
            type: string
          type: array
          title: Anions A
        anions_b:
          items:
            type: string
          type: array
          title: Anions B
        cations_a:
          items:
            type: string
          type: array
          title: Cations A
        cations_b:
          items:
            type: string
          type: array
          title: Cations B
        lattice_parameters_a:
          items:
            type: number
          type: array
          title: Lattice Parameters A
        lattice_parameters_b:
          items:
            type: number
          type: array
          title: Lattice Parameters B
        volume_cube_root_a:
          type: number
          title: Volume Cube Root A
        volume_cube_root_b:
          type: number
          title: Volume Cube Root B
        properties_a:
          $ref: '#/components/schemas/TypedSupportedPropertiesDict'
        properties_b:
          $ref: '#/components/schemas/TypedSupportedPropertiesDict'
        spacegroup_intl_number_a:
          type: integer
          title: Spacegroup Intl Number A
        spacegroup_intl_number_b:
          type: integer
          title: Spacegroup Intl Number B
        pair_id:
          type: string
          title: Pair Id
        pair_formula:
          type: string
          title: Pair Formula
        alloy_oxidation_state:
          type: integer
          title: Alloy Oxidation State
        isoelectronic:
          type: boolean
          title: Isoelectronic
        anonymous_formula:
          type: string
          title: Anonymous Formula
        nelements:
          type: integer
          title: Nelements
        members:
          items:
            $ref: '#/components/schemas/TypedAlloyMemberDict'
          type: array
          title: Members
      type: object
      required:
      - '@module'
      - '@class'
      - '@version'
      - formula_a
      - formula_b
      - structure_a
      - structure_b
      - id_a
      - id_b
      - chemsys
      - alloying_element_a
      - alloying_element_b
      - alloying_species_a
      - alloying_species_b
      - observer_elements
      - observer_species
      - anions_a
      - anions_b
      - cations_a
      - cations_b
      - lattice_parameters_a
      - lattice_parameters_b
      - volume_cube_root_a
      - volume_cube_root_b
      - properties_a
      - properties_b
      - spacegroup_intl_number_a
      - spacegroup_intl_number_b
      - pair_id
      - pair_formula
      - alloy_oxidation_state
      - isoelectronic
      - anonymous_formula
      - nelements
      - members
      title: TypedAlloyPairDict
    TypedSiteDict:
      properties:
        label:
          anyOf:
          - type: string
          - type: 'null'
          title: Label
        name:
          anyOf:
          - type: string
          - type: 'null'
          title: Name
        properties:
          anyOf:
          - $ref: '#/components/schemas/TypedSiteProperitesDict'
          - type: 'null'
        species:
          anyOf:
          - items:
              $ref: '#/components/schemas/TypedSpeciesDict'
            type: array
          - type: 'null'
          title: Species
        abc:
          anyOf:
          - items:
              type: number
            type: array
          - type: 'null'
          title: Abc
        xyz:
          anyOf:
          - items:
              type: number
            type: array
          - type: 'null'
          title: Xyz
      type: object
      title: TypedSiteDict
    TypedLatticeDict:
      properties:
        matrix:
          items:
            items:
              type: number
            type: array
          type: array
          title: Matrix
        pbc:
          anyOf:
          - prefixItems:
            - type: boolean
            - type: boolean
            - type: boolean
            type: array
            maxItems: 3
            minItems: 3
          - type: 'null'
          title: Pbc
        a:
          type: number
          title: A
        b:
          type: number
          title: B
        c:
          type: number
          title: C
        alpha:
          type: number
          title: Alpha
        beta:
          type: number
          title: Beta
        gamma:
          type: number
          title: Gamma
        volume:
          type: number
          title: Volume
      type: object
      required:
      - matrix
      - a
      - b
      - c
      - alpha
      - beta
      - gamma
      - volume
      title: TypedLatticeDict
    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.
    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.
    TypedAggregateProperitesDict:
      properties:
        magmom:
          anyOf:
          - items:
              type: number
            type: array
          - type: 'null'
          title: Magmom
        charge:
          anyOf:
          - items:
              type: number
            type: array
          - type: 'null'
          title: Charge
        velocities:
          anyOf:
          - items:
              prefixItems:
              - type: number
              - type: number
              - type: number
              type: array
              maxItems: 3
              minItems: 3
            type: array
          - type: 'null'
          title: Velocities
        selective_dynamics:
          anyOf:
          - items:
              prefixItems:
              - type: boolean
              - type: boolean
              - type: boolean
              type: array
              maxItems: 3
              minItems: 3
            type: array
          - type: 'null'
          title: Selective Dynamics
      type: object
      title: TypedAggregateProperitesDict
    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
    AlloyPairDoc:
      properties:
        builder_meta:
          anyOf:
          - $ref: '#/components/schemas/EmmetMeta'
          - type: 'null'
          description: Builder metadata.
        alloy_pair:
          $ref: '#/components/schemas/TypedAlloyPairDict'
          title: Alloy Pair
        pair_id:
          type: string
          title: Pair Id
      type: object
      required:
      - alloy_pair
      - pair_id
      title: AlloyPairDoc
    TypedStructureDict:
      properties:
        '@module':
          type: string
          title: '@Module'
        '@class':
          type: string
          title: '@Class'
        charge:
          anyOf:
          - type: number
          - type: 'null'
          title: Charge
        lattice:
          $ref: '#/components/schemas/TypedLatticeDict'
        sites:
          items:
            $ref: '#/components/schemas/TypedSiteDict'
          type: array
          title: Sites
        properties:
          anyOf:
          - $ref: '#/components/schemas/TypedAggregateProperitesDict'
          - type: 'null'
      type: object
      required:
      - '@module'
      - '@class'
      - lattice
      - sites
      title: TypedStructureDict
    Response_AlloyPairDoc_:
      properties:
        data:
          anyOf:
          - items:
              $ref: '#/components/schemas/AlloyPairDoc'
            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[AlloyPairDoc]
    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.
    TypedSpeciesDict:
      properties:
        element:
          anyOf:
          - type: string
          - type: 'null'
          title: Element
        oxidation_state:
          anyOf:
          - type: number
          - type: 'null'
          title: Oxidation State
        spin:
          anyOf:
          - type: number
          - type: 'null'
          title: Spin
        occu:
          anyOf:
          - type: number
          - type: 'null'
          title: Occu
      type: object
      title: TypedSpeciesDict
    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.
    TypedAlloyMemberDict:
      properties:
        id_:
          type: string
          title: Id
        db:
          type: string
          title: Db
        composition:
          additionalProperties:
            type: number
          propertyNames:
            $ref: '#/components/schemas/Element'
          type: object
          title: Composition
        x:
          type: number
          title: X
        is_ordered:
          type: boolean
          title: Is Ordered
      type: object
      required:
      - id_
      - db
      - composition
      - x
      - is_ordered
      title: TypedAlloyMemberDict
    HTTPValidationError:
      properties:
        detail:
          items:
            $ref: '#/components/schemas/ValidationError'
          type: array
          title: Detail
      type: object
      title: HTTPValidationError
  securitySchemes:
    ApiKeyAuth:
      descriptions: MP API key to authorize requests
      name: X-API-KEY
      in: header
      type: apiKey