Materials Consortia's OPTIMADE list of providers

[View on GitHub/List your provider]

Known providersNumber of known providers 24 providers Available providersProviders that have registered a base URL with the OPTIMADE federation 18 providers Available sub-databasesNumber of sub-databases aggregated over all providers 27 sub-databases Number of structuresNumber of structures served by all databases with aggregation enabled 27,309,582 structures available

Provider 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 2

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

mcloudarchive: Materials Cloud Archive

Databases contributed by the community to the Materials Cloud Archive

Available sub-databases 2

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

mpod: Material Properties Open Database (MPOD)

The Material Properties Open Database (MPOD) is a web-based, open access repository of quantitative information about the physical properties of crystalline materials. MPOD is oriented to design engineers, scientists, science teachers and students. Properties are generally treated as tensor magnitudes. In MPOD the compact matrix notation is applied. To bring an intuitive view of tensor properties, so-called longitudinal properties surfaces are displayed. 3D printing of properties surfaces is implemented via creation of stl files. A dictionary of properties definitions is included. Eventually, comments are added. Syntax and notation in MPOD files is oriented towards matching IUCr standards and so tries to comply with CIF format.

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

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

optimade: OPTIMADE implementations and libraries

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

optimake: optimake

A tool for turning static data into OPTIMADE APIs

pcod: Predicted Crystallography Open Database