Provider list (alphabetically ordered by provider ID)
aflow: AFLOW
Automatic FLOW (AFLOW) database for computational materials science
- Full details for this provider
- Project homepage: https://aflow.org
alexandria: Alexandria
A collection of databases from the group of Prof Miguel A. L. Marques at Ruhr University Bochum.
- Full details for this provider
- Project homepage: https://tddft.org/bmg
cmr: Computational materials repository (CMR)
CMR is a collection of materials repositories from different projects such as C2DB, QPOD and many more
- Full details for this provider
- Project homepage: https://cmr.fysik.dtu.dk
cod: Crystallography Open Database
Open-access collection of crystal structures of organic, inorganic, metal-organic compounds and minerals, excluding biopolymers
- Full details for this provider
- Project homepage: https://www.crystallography.net/cod
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.
- Full details for this provider
- Project homepage: https://jarvis.nist.gov
matcloud: MatCloud
A high-throughput computing platform integrating data, simulation and supercomputing.
- Full details for this provider
- Project homepage: http://matcloud.cnic.cn
matterverse: Matterverse
Database of machine learning property predictions for over 31 million hypothetical materials and materials in the Materials Project.
- Full details for this provider
- Project homepage: https://matterverse.ai
mcloud: Materials Cloud
A platform for Open Science built for seamless sharing of resources in computational materials science
- Full details for this provider
- Project homepage: https://www.materialscloud.org
mcloudarchive: Materials Cloud Archive
Databases contributed by the community to the Materials Cloud Archive
- Full details for this provider
- Project homepage: https://archive.materialscloud.org
mp: The Materials Project
An open database of computed materials properties to accelerate materials discovery and design
- Full details for this provider
- Project homepage: https://www.materialsproject.org
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 (phaseslab.org) at The Pennsylvania State University
- Full details for this provider
- Project homepage: https://www.phaseslab.com/mpdd
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.
- Full details for this provider
- Project homepage: https://mpds.io
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.
- Full details for this provider
- Project homepage: http://mpod.cimav.edu.mx
nmd: novel materials discovery (NOMAD)
A FAIR data sharing platform for materials science data
- Full details for this provider
- Project homepage: https://nomad-lab.eu
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 https://ajm143.github.io
- Full details for this provider
- Project homepage: https://odbx.science
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.
- Full details for this provider
- Project homepage: https://openmaterialsdb.se
oqmd: The Open Quantum Materials Database (OQMD)
The OQMD is a database of DFT calculated thermodynamic and structural properties of materials
- Full details for this provider
- Project homepage: https://oqmd.org
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
- Full details for this provider
- Project homepage: https://www.crystallography.net/tcod
twodmatpedia: 2DMatpedia
2DMatpedia, an open computational database of two-dimensional materials from top-down and bottom-up approaches
- Full details for this provider
- Project homepage: http://2dmatpedia.org
aiida:
AiiDA
Automated Interactive Infrastructure and Database for Computational Science (AiiDA)
- Full details for this provider
- Project homepage: https://www.aiida.net
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.
- Full details for this provider
- Project homepage: https://www.ccpnc.ac.uk/database
httk:
The High-Throughput Toolkit
Prefix for implementation-specific identifiers used in the httk implementation at http://httk.org/
optimade:
OPTIMADE implementations and libraries
Prefix for implementation-specific identifiers used in API implementations and libraries provided at https://github.com/Materials-Consortia
- Full details for this provider
- Project homepage: https://www.optimade.org
optimake:
optimake
A tool for turning static data into OPTIMADE APIs