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Materials Project Materials Tasks API

Route for "core" information associated with a given calculation in the Materials Project database. Multiple calculations can ultimately be associated with a unique material, and are the source of its reported properties. The unique identifier for a calculation is its `task_id`. Note that the `material_id` chosen for a given material is sourced from one of the `task_id` values associated with it. Core data in this context refers to calculation quantities such as parsed input and output data (e.g. VASP input flags, atomic forces, structures) and runtime statistics. See the `TaskDoc` schema for a full list of fields returned by this route.

Materials Project Materials Tasks API is one of 29 APIs that Materials Project publishes on the APIs.io network, described by a machine-readable OpenAPI specification.

Tagged areas include Materials Tasks. The published artifact set on APIs.io includes an OpenAPI specification, API documentation, and a getting-started guide.

This API exposes 4 operations across 4 paths, and defines 41 schemas. It is described by OpenAPI 3.1.0, at version 0.86.4rc5.dev1+g77c2c1315.

Requests are made against the base URL https://api.materialsproject.org.

4 operations 4 paths 41 schemas 4 GET

Metadata

The identity and technical contract details declared by the specification.

Specification
OpenAPI 3.1.0
API Version
0.86.4rc5.dev1+g77c2c1315
Base URL
https://api.materialsproject.org
Authentication
API Key
Resource Areas
1

Authentication & Security 1

Materials Project Materials Tasks API declares 1 security scheme for authenticating requests. An API key is passed in the header as X-API-KEY (ApiKeyAuth). By default, every request must be authenticated.

Paths & Operations 4

Across 4 paths, the API surfaces 4 operations — 4 GET. Each is listed below with its method, path, parameters, and response codes.

Materials Tasks 4

Route for "core" information associated with a given calculation in the Materials Project database. Multiple calculations can ultimately be associated with a unique material, and…

GET
/materials/tasks/trajectory/
Get TrajectoryDoc documents
search_materials_tasks_trajectory__get 5 params → 200422
GET
/materials/tasks/entries/
Get EntryDoc documents
search_materials_tasks_entries__get 5 params → 200422
GET
/materials/tasks/deprecation/
Get DeprecationDoc documents
search_materials_tasks_deprecation__get 5 params → 200422
GET
/materials/tasks/
Get TaskDoc documents
search_materials_tasks__get 16 params → 200422

Schemas 41

The contract defines 41 schemas that model the data the API accepts and returns. The most detailed are TaskDoc (39 properties), CalculationOutput (30 properties), TypedOutcarDict (15 properties), RelaxTrajectory (14 properties). Each schema is shown below with its type and property counts.

TypedPerIonProps
object
4 properties 4 required
TypedPotcarStatsDict
object
2 properties 2 required
TypedAggregateProperitesDict
object
4 properties
CustodianDoc
object
2 properties
Meta
object
Meta information for the MAPI Response.
4 properties
RelaxTrajectory
object
Low memory schema for relaxation trajectories that can interface with parquet, pymatgen, and ASE. This schema is intended primarily for VASP relaxation traject…
14 properties 3 required
TypedSpeciesDict
object
4 properties
HTTPValidationError
object
1 property
PotcarSpec
object
Document defining a VASP POTCAR specification.
3 properties
TypedSiteDict
object
6 properties
BaderAnalysis
object
Output of pymatgen.commandline.badercaller.baderanalysisfromobjects We omit the chargedensities field, since these are too large to justify storing in the docu…
9 properties 7 required
FrequencyDependentDielectric
object
Frequency-dependent dielectric data.
3 properties
TaskDoc
object
Flexible wrapper around CoreTaskDoc
39 properties
TypedStructureDict
object
6 properties 4 required
TrajectoryDoc
object
Model for task trajectory data.
2 properties
Response_TrajectoryDoc_
object
3 properties
Response_TaskDoc_
object
3 properties
Error
object
Base Error model for General API.
2 properties 2 required
ElectronicStep
object
Document defining the information at each electronic step. Note, not all the information will be available at every step.
12 properties
TypedSiteProperitesDict
object
6 properties
Response_EntryDoc_
object
3 properties
TypedOutcarDict
object
15 properties 2 required
DielectricProperties
object
Store electronic response properties. Note the units and tensor ranks: - Dielectric tensors are dimensionless (no units apply), and are 3x3 - Piezoelectric ten…
6 properties
TypedStatisticsDict
object
5 properties 5 required
RunStatistics
object
Summary of the run statistics for a VASP calculation.
7 properties
ValidationError
object
5 properties 3 required
TypedPotcarSummaryStatsDict
object
2 properties
SymmetryData
object
Defines a symmetry data set for materials documents
8 properties
AnalysisDoc
object
5 properties
CalculationOutput
object
Wrapper for CoreCalculationOutput for parsing and storing larger fields.
30 properties
Response_DeprecationDoc_
object
3 properties
TypedLatticeDict
object
9 properties 8 required
CalculationInput
object
Document defining VASP calculation inputs. Note that the following fields were formerly top-level fields on InputDoc, but are now properties of CalculationInpu…
11 properties
Calculation
object
Full VASP calculation inputs and outputs.
13 properties
OutputDoc
object
7 properties
TypedPotcarKeywordsDict
object
2 properties 2 required
IonicStep
object
Document defining the information at each ionic step.
8 properties
DeprecationDoc
object
Model for task deprecation data.
3 properties
EntryDoc
object
Model for task entry data.
2 properties
MSONableTypedLatticeDict
object
11 properties 11 required
ElectronPhononDisplacedStructures
object
Document defining electron phonon displaced structures.
2 properties

Specification

The full machine-readable OpenAPI contract behind this narrative.

Source

materials-project-materials-tasks-api-openapi.yml Raw ↑

Other APIs Materials Project publishes across the network.

Materials Project Defect Tasks API
Materials Project DOIs API
Materials Project JCESR Electrolyte Genome API
Materials Project Materials Absorption API
Materials Project Materials Alloys API
Materials Project Materials API
Materials Project Materials Bonds API
Materials Project Materials Chemical Environment API
Materials Project Materials Dielectric API
Materials Project Materials Elasticity API
Materials Project Materials Electrodes API
Materials Project Materials Electronic Structure API
Where this information came from

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