Materials Consortia's OPTIMADE list of providers

[View on GitHub/List your provider]

Known providersNumber of known providers 22 providers Available providersProviders that specify an OPTIMADE base URL 22 providers Available sub-databasesNumber of sub-databases aggregated over all providers 25 sub-databases Number of structuresNumber of structures served by all databases with aggregation enabled 22493276 structures available

Package list (alphabetically ordered by provider ID)

aflow: AFLOW

Automatic FLOW (AFLOW) database for computational materials science

Available sub-databases 1

alexandria: Alexandria

A collection of databases from the group of Prof Miguel A. L. Marques at Ruhr University Bochum.

Available sub-databases 1

cmr: Computational materials repository (CMR)

CMR is a collection of materials repositories from different projects such as C2DB, QPOD and many more

Available sub-databases 1

cod: Crystallography Open Database

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

Available sub-databases 1

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

Available sub-databases 10

mp: The Materials Project

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

Available sub-databases 1

mpdd: Material-Property-Descriptor Database

Material-Property-Descriptor Database (MPDD) of atomic structures. Optimized for the high-throughput deployment of material featurizers and ML models. Maintained by Phases Research Lab ( at The Pennsylvania State University

Available sub-databases 1

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

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 2

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

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

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

aiida: AiiDA

Automated Interactive Infrastructure and Database for Computational Science (AiiDA)

ccpnc: CCP-NC Database

The Collaborative Computational Project for NMR Crystallography (CCP-NC) Database hosts calculated NMR parameters submitted by users in the magres format.

httk: The High-Throughput Toolkit

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

necro: NecrOPTIMADE

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

optimade: OPTIMADE implementations and libraries

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

pcod: Predicted Crystallography Open Database