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).
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openapi: 3.2.0
info:
title: Materials Project Materials Alloys API
description: The Materials Project API allows anyone to have direct access to current, up-to-date information from the Materials Project database in a structured way.
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.
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:
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
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.
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]
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
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
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
HTTPValidationError:
properties:
detail:
items:
$ref: '#/components/schemas/ValidationError'
type: array
title: Detail
type: object
title: HTTPValidationError
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
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
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
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
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.
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
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.
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
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
securitySchemes:
ApiKeyAuth:
descriptions: MP API key to authorize requests
name: X-API-KEY
in: header
type: apiKey