Materials Consortia's OPTIMADE list of providers

[View on GitHub/list your provider]

Known providersNumber of known providers 18 providers Available providersProviders that specify an OPTIMADE base URL 18 providers Available sub-databasesNumber of sub-databases aggregated over all providers 10 sub-databases Number of structuresNumber of structures served by all databases with aggregation enabled 17645892 structures available

Package list (alphabetically ordered by provider ID)

aflow: AFLOW

Automatic FLOW (AFLOW) database for computational materials science

Available sub-databases 1

aiida: AiiDA

Automated Interactive Infrastructure and Database for Computational Science (AiiDA)

cod: Crystallography Open Database

Open-access collection of crystal structures of organic, inorganic, metal-organics compounds and minerals, excluding biopolymers

Available sub-databases 1

httk: The High-Throughput Toolkit

Prefix for implementation-specific identifiers used in the httk implementation at

jarvis: Joint Automated Repository for Various Integrated Simulations (JARVIS)

JARVIS is a repository designed to automate materials discovery using classical force-field, density functional theory, machine learning calculations and experiments.

Available sub-databases 1

matcloud: MatCloud

A high-throughput computing platform integrating data, simulation and supercomputing.

mcloud: Materials Cloud

A platform for Open Science built for seamless sharing of resources in computational materials science

mp: The Materials Project

An open database of computed materials properties to accelerate materials discovery and design

mpds: Materials Platform for Data Science

A highly curated Pauling File dataset based on ~0.5M publications and backing up Springer Materials, ICDD PDF, ASM APD, MedeA, Pearson Crystal Data, AtomWork Advanced, etc.

Available sub-databases 1

necro: NecrOPTIMADE

A provider of ephemeral OPTIMADE APIs for static or archived data.

nmd: novel materials discovery (NOMAD)

A FAIR data sharing platform for materials science data

Available sub-databases 1

odbx: open database of xtals

A public database of crystal structures mostly derived from ab initio structure prediction from the group of Dr Andrew Morris at the University of Birmingham

Available sub-databases 1

omdb: Open Materials Database

The Open Materials Database (omdb) is a database of materials properties maintained by the developers of the High-Throughput Toolkit (httk). It enables easy access to useful materials data, in particular via programmatic interaction using this toolkit.

Available sub-databases 1

optimade: OPTIMADE implementations and libraries

Prefix for implementation-specific identifiers used in API implementations and libraries provided at

oqmd: The Open Quantum Materials Database (OQMD)

The OQMD is a database of DFT calculated thermodynamic and structural properties of materials

Available sub-databases 1

pcod: Predicted Crystallography Open Database

tcod: Theoretical Crystallography Open Database

Open-access collection of theoretically calculated or refined crystal structures of organic, inorganic, metal-organic compounds and minerals, excluding biopolymers

Available sub-databases 1

twodmatpedia: 2DMatpedia

2DMatpedia, an open computational database of two-dimensional materials from top-down and bottom-up approaches

Available sub-databases 1