openapi: 3.1.0
info:
  title: Materials Project Defect Tasks Materials Bonds 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 Bonds
  description: Route for retrevial of bonding information for a given material.
paths:
  /materials/bonds/:
    get:
      tags:
      - Materials Bonds
      summary: Get BondingDoc documents
      operationId: search_materials_bonds__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: max_bond_length_max
        in: query
        required: false
        schema:
          anyOf:
          - type: number
          - type: 'null'
          description: Maximum value for the maximum bond length in the structure.
          title: Max Bond Length Max
        description: Maximum value for the maximum bond length in the structure.
      - name: max_bond_length_min
        in: query
        required: false
        schema:
          anyOf:
          - type: number
          - type: 'null'
          description: Minimum value for the maximum bond length in the structure.
          title: Max Bond Length Min
        description: Minimum value for the maximum bond length in the structure.
      - name: min_bond_length_max
        in: query
        required: false
        schema:
          anyOf:
          - type: number
          - type: 'null'
          description: Maximum value for the minimum bond length in the structure.
          title: Min Bond Length Max
        description: Maximum value for the minimum bond length in the structure.
      - name: min_bond_length_min
        in: query
        required: false
        schema:
          anyOf:
          - type: number
          - type: 'null'
          description: Minimum value for the minimum bond length in the structure.
          title: Min Bond Length Min
        description: Minimum value for the minimum bond length in the structure.
      - name: mean_bond_length_max
        in: query
        required: false
        schema:
          anyOf:
          - type: number
          - type: 'null'
          description: Maximum value for the mean bond length in the structure.
          title: Mean Bond Length Max
        description: Maximum value for the mean bond length in the structure.
      - name: mean_bond_length_min
        in: query
        required: false
        schema:
          anyOf:
          - type: number
          - type: 'null'
          description: Minimum value for the mean bond length in the structure.
          title: Mean Bond Length Min
        description: Minimum value for the mean bond length in the structure.
      - name: coordination_envs
        in: query
        required: false
        schema:
          anyOf:
          - type: string
          - type: 'null'
          description: Query by coordination environments in the material composition as a comma-separated list (e.g. 'Mo-S(6),S-Mo(3)')
          title: Coordination Envs
        description: Query by coordination environments in the material composition as a comma-separated list (e.g. 'Mo-S(6),S-Mo(3)')
      - name: coordination_envs_anonymous
        in: query
        required: false
        schema:
          anyOf:
          - type: string
          - type: 'null'
          description: Query by anonymous coordination environments in the material composition as a comma-separated list (e.g. 'A-B(6),A-B(3)')
          title: Coordination Envs Anonymous
        description: Query by anonymous coordination environments in the material composition as a comma-separated list (e.g. 'A-B(6),A-B(3)')
      - 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 BondingDoc as a list of comma separated strings.                    Fields include: `builder_meta` `nsites` `elements` `nelements` `composition` `composition_reduced` `formula_pretty` `formula_anonymous` `chemsys` `volume` `density` `density_atomic` `symmetry` `material_id` `deprecated` `deprecation_reasons` `last_updated` `origins` `warnings` `structure` `property_name` `structure_graph` `method` `bond_types` `bond_length_stats` `coordination_envs` `coordination_envs_anonymous`'
          title: ' Fields'
        description: 'Fields to project from BondingDoc as a list of comma separated strings.                    Fields include: `builder_meta` `nsites` `elements` `nelements` `composition` `composition_reduced` `formula_pretty` `formula_anonymous` `chemsys` `volume` `density` `density_atomic` `symmetry` `material_id` `deprecated` `deprecation_reasons` `last_updated` `origins` `warnings` `structure` `property_name` `structure_graph` `method` `bond_types` `bond_length_stats` `coordination_envs` `coordination_envs_anonymous`'
      - 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 BondingDoc
          content:
            application/json:
              schema:
                $ref: '#/components/schemas/Response_BondingDoc_'
        '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.
    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
    TypedStructureGraphDict:
      properties:
        '@module':
          type: string
          title: '@Module'
        '@class':
          type: string
          title: '@Class'
        structure:
          $ref: '#/components/schemas/TypedStructureDict'
        graphs:
          $ref: '#/components/schemas/TypedGraphDict'
      type: object
      required:
      - '@module'
      - '@class'
      - structure
      - graphs
      title: TypedStructureGraphDict
    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.
    TypedGraphDict:
      properties:
        directed:
          type: boolean
          title: Directed
        multigraph:
          type: boolean
          title: Multigraph
        graph:
          $ref: '#/components/schemas/GraphDescriptorDict'
        nodes:
          items:
            $ref: '#/components/schemas/TypedNodeDict'
          type: array
          title: Nodes
        adjacency:
          items:
            items:
              $ref: '#/components/schemas/TypedAdjacencyDict'
            type: array
          type: array
          title: Adjacency
      type: object
      required:
      - directed
      - multigraph
      - graph
      - nodes
      - adjacency
      title: TypedGraphDict
    TypedSpeciesDict:
      properties:
        element:
          anyOf:
          - type: string
          - type: 'null'
          title: Element
        oxidation_state:
          anyOf:
          - type: number
          - type: 'null'
          title: Oxidation State
        spin:
          anyOf:
          - type: number
          - type: 'null'
          title: Spin
        occu:
          anyOf:
          - type: number
          - type: 'null'
          title: Occu
      type: object
      title: TypedSpeciesDict
    HTTPValidationError:
      properties:
        detail:
          items:
            $ref: '#/components/schemas/ValidationError'
          type: array
          title: Detail
      type: object
      title: HTTPValidationError
    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
    GraphDescriptorDict:
      properties:
        name:
          type: string
          title: Name
        edge_weight_name:
          type: string
          title: Edge Weight Name
        edge_weight_units:
          type: string
          title: Edge Weight Units
      type: object
      required:
      - name
      title: GraphDescriptorDict
    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_BondingDoc_:
      properties:
        data:
          anyOf:
          - items:
              $ref: '#/components/schemas/BondingDoc'
            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[BondingDoc]
    Error:
      properties:
        code:
          type: integer
          title: Code
          description: The error code
        message:
          type: string
          title: Message
          description: The description of the error
      type: object
      required:
      - code
      - message
      title: Error
      description: Base Error model for General API.
    TypedSiteProperitesDict:
      properties:
        magmom:
          anyOf:
          - type: number
          - type: 'null'
          title: Magmom
        charge:
          anyOf:
          - type: number
          - type: 'null'
          title: Charge
        velocities:
          anyOf:
          - prefixItems:
            - type: number
            - type: number
            - type: number
            type: array
            maxItems: 3
            minItems: 3
          - type: 'null'
          title: Velocities
        selective_dynamics:
          anyOf:
          - prefixItems:
            - type: boolean
            - type: boolean
            - type: boolean
            type: array
            maxItems: 3
            minItems: 3
          - type: 'null'
          title: Selective Dynamics
        coordination_no:
          anyOf:
          - type: integer
          - type: 'null'
          title: Coordination No
        forces:
          anyOf:
          - items:
              type: number
            type: array
          - type: 'null'
          title: Forces
      type: object
      title: TypedSiteProperitesDict
    ValidationError:
      properties:
        loc:
          items:
            anyOf:
            - type: string
            - type: integer
          type: array
          title: Location
        msg:
          type: string
          title: Message
        type:
          type: string
          title: Error Type
        input:
          title: Input
        ctx:
          type: object
          title: Context
      type: object
      required:
      - loc
      - msg
      - type
      title: ValidationError
    SymmetryData:
      properties:
        crystal_system:
          anyOf:
          - type: string
          - type: 'null'
          title: Crystal System
          description: The crystal system for this lattice.
        symbol:
          anyOf:
          - type: string
          - type: 'null'
          title: Space Group Symbol
          description: The spacegroup symbol for the lattice.
        hall:
          anyOf:
          - type: string
          - type: 'null'
          title: Hall Symbol
          description: Hall symbol for the lattice
        number:
          anyOf:
          - type: integer
          - type: 'null'
          title: Space Group Number
          description: The spacegroup number for the lattice.
        point_group:
          anyOf:
          - type: string
          - type: 'null'
          title: Point Group Symbol
          description: The point group for the lattice.
        symprec:
          anyOf:
          - type: number
          - type: 'null'
          title: Symmetry Finding Precision
          description: The precision provided to spglib to determine the symmetry of this structure.
        angle_tolerance:
          anyOf:
          - type: number
          - type: 'null'
          title: Angle Tolerance
          description: Angle tolerance provided to spglib to determine the symmetry of this structure.
        version:
          anyOf:
          - type: string
          - type: 'null'
          title: spglib version
      type: object
      title: SymmetryData
      description: Defines a symmetry data set for materials documents
    PropertyOrigin:
      properties:
        name:
          type: string
          title: Name
          description: The property name
        task_id:
          anyOf:
          - type: string
            pattern: ^([A-Za-z]+-)?(\d+)(-[A-Za-z0-9]+)*$
            examples:
            - mp-3534
            - '3453'
            - mp-834-Ag
          - type: string
            examples:
            - mp-ft
            - task:pqrs
          title: Task Id
          description: The calculation ID this property comes from.
        last_updated:
          type: string
          format: date-time
          title: Last Updated
          description: The timestamp when this calculation was last updated
      type: object
      required:
      - name
      - task_id
      title: PropertyOrigin
      description: Provenance document for the origin of properties in a material document
    TypedAdjacencyDict:
      properties:
        to_jimage:
          prefixItems:
          - type: integer
          - type: integer
          - type: integer
          type: array
          maxItems: 3
          minItems: 3
          title: To Jimage
        weight:
          type: number
          title: Weight
        id:
          type: integer
          title: Id
        key:
          type: integer
          title: Key
      type: object
      required:
      - to_jimage
      - weight
      - id
      - key
      title: TypedAdjacencyDict
    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
    TypedBondLengthStatsDict:
      properties:
        all_weights:
          items:
            type: number
          type: array
          title: All Weights
        min:
          type: number
          title: Min
        max:
          type: number
          title: Max
        mean:
          type: number
          title: Mean
        variance:
          type: number
          title: Variance
      type: object
      required:
      - all_weights
      - min
      - max
      - mean
      - variance
      title: TypedBondLengthStatsDict
    TypedNodeDict:
      properties:
        id:
          type: integer
          title: Id
      type: object
      required:
      - id
      title: TypedNodeDict
    BondingDoc:
      properties:
        builder_meta:
          anyOf:
          - $ref: '#/components/schemas/EmmetMeta'
          - type: 'null'
          description: Builder metadata.
        nsites:
          anyOf:
          - type: integer
          - type: 'null'
          title: Nsites
          description: Total number of sites in the structure.
        elements:
          anyOf:
          - items:
              type: string
            type: array
          - type: 'null'
          title: Elements
          description: List of elements in the material.
        nelements:
          anyOf:
          - type: integer
          - type: 'null'
          title: Nelements
          description: Number of elements.
        composition:
          anyOf:
          - additionalProperties:
              type: number
            type: object
          - type: 'null'
          title: Composition
          description: Full composition for the material.
        composition_reduced:
          anyOf:
          - additionalProperties:
              type: number
            type: object
          - type: 'null'
          title: Reduced Composition
          description: Simplified representation of the composition.
        formula_pretty:
          anyOf:
          - type: string
          - type: 'null'
          title: Pretty Formula
          description: Cleaned representation of the formula.
        formula_anonymous:
          anyOf:
          - type: string
          - type: 'null'
          title: Anonymous Formula
          description: Anonymized representation of the formula.
        chemsys:
          anyOf:
          - type: string
          - type: 'null'
          title: Chemical System
          description: Dash-separated string of elements in the material.
        volume:
          anyOf:
          - type: number
          - type: 'null'
          title: Volume
          description: Total volume for this structure in ų.
        density:
          anyOf:
          - type: number
          - type: 'null'
          title: Density
          description: Density in g/cm³.
        density_atomic:
          anyOf:
          - type: number
          - type: 'null'
          title: Packing Density
          description: The atomic packing density in ų/atom.
        symmetry:
          anyOf:
          - $ref: '#/components/schemas/SymmetryData'
          - type: 'null'
          description: Symmetry data for this material.
        material_id:
          anyOf:
          - type: string
            pattern: ^([A-Za-z]+-)?(\d+)(-[A-Za-z0-9]+)*$
            examples:
            - mp-3534
            - '3453'
            - mp-834-Ag
          - type: string
            examples:
            - mp-ft
            - task:pqrs
          - type: 'null'
          title: Material Id
          description: 'The Materials Project ID of the material, used as a universal reference across property documents.This comes in the form: mp-******.'
        deprecated:
          type: boolean
          title: Deprecated
          description: Whether this property document is deprecated.
          default: true
        deprecation_reasons:
          anyOf:
          - items:
              type: string
            type: array
          - type: 'null'
          title: Deprecation Reasons
          description: List of deprecation tags detailing why this document isn't valid.
        last_updated:
          type: string
          format: date-time
          title: Last Updated
          description: Timestamp for the most recent calculation update for this property.
        origins:
          anyOf:
          - items:
              $ref: '#/components/schemas/PropertyOrigin'
            type: array
          - type: 'null'
          title: Origins
          description: Dictionary for tracking the provenance of properties.
        warnings:
          items:
            type: string
          type: array
          title: Warnings
          description: Any warnings related to this property.
          default: []
        property_name:
          type: string
          title: Property Name
          default: bonding
        structure_graph:
          $ref: '#/components/schemas/TypedStructureGraphDict'
          title: Structure Graph
          description: Structure graph
        method:
          type: string
          title: Method
          description: Method used to compute structure graph.
        bond_types:
          additionalProperties:
            items:
              type: number
            type: array
          type: object
          title: Bond Types
          description: Dictionary of bond types to their length, e.g. a Fe-O to a list of the lengths of Fe-O bonds in Angstrom.
        bond_length_stats:
          $ref: '#/components/schemas/TypedBondLengthStatsDict'
          description: 'Dictionary of statistics of bonds in structure '
        coordination_envs:
          items:
            type: string
          type: array
          title: Coordination Envs
          description: List of co-ordination environments, e.g. ['Mo-S(6)', 'S-Mo(3)'].
        coordination_envs_anonymous:
          items:
            type: string
          type: array
          title: Coordination Envs Anonymous
          description: List of co-ordination environments without elements present, e.g. ['A-B(6)', 'A-B(3)'].
      type: object
      required:
      - structure_graph
      - method
      - bond_types
      - bond_length_stats
      - coordination_envs
      - coordination_envs_anonymous
      title: BondingDoc
      description: 'Structure graphs representing chemical bonds calculated from structure

        using near neighbor strategies as defined in pymatgen.'
  securitySchemes:
    ApiKeyAuth:
      descriptions: MP API key to authorize requests
      name: X-API-KEY
      in: header
      type: apiKey