Materials Project
The Materials Project API provides direct access to the Materials Project database, a large-scale computational materials science database with data on tens of thousands of materials. The API is offered free of charge and supports machine learning, automated analysis, and bulk data downloads.
Materials Project publishes 29 APIs on the APIs.io network, including Defect Tasks API, DOIs API, JCESR Electrolyte Genome API, and 26 more. Tagged areas include Chemistry, Materials Science, Physics, Research, and Scientific Computing.
Materials Project’s developer surface includes authentication, developer portal, documentation, signup flow, and 4 more developer resources.
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APIs 29
Individual APIs this provider publishes, each with its own machine-readable definition.
Materials Project Defect Tasks API
The Defect Tasks API from Materials Project — 1 operation(s) for defect tasks.
Materials Project DOIs API
Route providing DOI and bibtex reference information for a material. Note that this data may not be available for all materials in the Materials Project database. See the `DOIDo...
Materials Project JCESR Electrolyte Genome API
Route providing computed data for a legacy molecule such as charge, electron affinity, and ionization energy. The unique identifier for a molecule is its `task_id` (e.g. `mol-45...
Materials Project Materials Absorption API
The Materials Absorption API from Materials Project — 1 operation(s) for materials absorption.
Materials Project Materials Alloys API
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]...
Materials Project Materials API
Route for "core" information associated with a given material in the Materials Project database. The unique identifier for a material is its `material_id` (e.g. `mp-149`). Core ...
Materials Project Materials Bonds API
Route for retrevial of bonding information for a given material.
Materials Project Materials Chemical Environment API
The Materials Chemical Environment API from Materials Project — 1 operation(s) for materials chemical environment.
Materials Project Materials Dielectric API
Route providing computed dielectric data for a material following the methodology discussed by [Petousis *et al.*](https://doi.org/10.1038/sdata.2016.134) Note that dielectric d...
Materials Project Materials Elasticity API
Route providing computed elasticity data for a material following the methodology discussed by [de Jong *et al.*](https://doi.org/10.1038/sdata.2015.9) Note that elasticity data...
Materials Project Materials Electrodes API
Route providing computed electrode data for a material following the methodology discussed by [Shen *et al.*](https://doi.org/10.1038/s41524-020-00422-3) Note that electrode dat...
Materials Project Materials Electronic Structure API
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...
Materials Project Materials EOS API
Route providing computed equations of state data for a material following the methodology discussed by [Latimer *et al.*](https://doi.org/10.1038/s41524-018-0091-x) Note that eq...
Materials Project Materials Grain Boundaries API
Route providing computed grain boundary data for a material following the methodology discussed by [Hui *et al.*](https://doi.org/10.1016/j.actamat.2019.12.030) Note that grain ...
Materials Project Materials Magnetism API
Route providing computed magnetic ordering related data for a material following the methodology discussed by [Horton *et al.*](https://doi.org/10.1038/s41524-019-0199-7) Note t...
Materials Project Materials Oxidation States API
Route providing computed oxidation state data for a material following the methodology employed by the [BVAnalyzer](https://pymatgen.org/pymatgen.analysis.bond_valence.html) in ...
Materials Project Materials Phonon API
**Under construction** Route providing computed phonon data for a material following the methodology discussed by [Petretto *et al.*](https://doi.org/10.1038/sdata.2018.65) Note...
Materials Project Materials Piezoelectric API
Route providing computed piezoelectric data for a material following the methodology discussed by [de Jong *et al.*](https://doi.org/10.1038/sdata.2015.53) Note that piezoelectr...
Materials Project Materials Provenance API
Route providing provenance data for a material such as whether it is theoretical, its associated ICSD entries, and relevant references in literature. Note that provenance data m...
Materials Project Materials Robocrystallographer API
Route providing a computed text description for a material following the methodology discussed by [Ganose *et al.*](https://doi.org/10.1557/mrc.2019.94) Note that descriptions m...
Materials Project Materials Similarity API
Route providing a computed similarity metric between materials following the methodology discussed by Zimmerman *et al.* in [10.3389/fmats.2017.00034](https://doi.org/10.3389/fm...
Materials Project Materials Substrates API
Route providing computed suggested substrate data for a material following the methodology discussed by [Ding *et al.*](https://doi.org/10.1021/acsami.6b01630) Note that substra...
Materials Project Materials Summary API
Route providing a large amount of amalgamated data for a material. This is constructed by combining subsets of data from many of the other API endpoints. The summary endpoint is...
Materials Project Materials Surface Properties API
Route providing computed surface property data for a material following the methodology discussed by [Tran *et al.*](https://doi.org/10.1038/sdata.2016.80) Note that surface dat...
Materials Project Materials Synthesis API
Route providing a synthesis recipes for materials extracted from literature following the methodology discussed by [Kononova *et al.*](https://doi.org/10.1038/s41597-019-0224-1)...
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, an...
Materials Project Materials Thermo API
Route providing computed thermodynamic data for a material such as formation energy and energy above hull. Corrected energy values are also available that employ the schemes dis...
Materials Project Materials XAS API
Route providing computed x-ray absorption spectroscopy data for a material following the methodology discussed by [Mathew *et al.*](https://doi.org/10.1038/sdata.2018.151) and [...
Materials Project Molecules Summary API
Route for a summary of all data calculated on 'core' molecules in the Materials Project molecules database. See the `MoleculeSummaryDoc` schema for a full list of fields returne...
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Open Collections 1
Open, tool-agnostic API collections (OpenAPI-derived and Bruno).
Materials Project API
OPEN COLLECTIONPricing Plans 1
Published pricing tiers and plan structures.
Rate Limits 1
Documented rate limits and quota policies.
Materials Project Rate Limits
RATE LIMITSFinOps 1
Cost, billing, and metering signals for API financial operations.
Materials Project Finops
FINOPSSecurity Posture 2
Authentication, domain security, vulnerability disclosure, and trust-center signals.
Agentic Access 1
Recommended x-agentic-access execution contracts for AI agents.
Resources
Get Started 2
Portal, sign-up, and the first successful call
Documentation 1
Reference material describing how the API behaves
Agent Surfaces 2
MCP servers, agent skills, and machine-readable catalogs
Build 1
SDKs, sample code, and the tooling you integrate with
Access & Security 2
Authentication, authorization, and security posture