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Discover models, datasets, and services for materials science.
Materials Commons — a collaboration platform and data repository for the materials science community. Stores experimental data, computational results, and publications. Developed at University of Michigan.
Chemical Entities of Biological Interest — a freely available dictionary of molecular entities focused on chemical compounds. Maintained by the European Bioinformatics Institute. 60K+ entities with structures, roles, and classifications.
MatOnto — a materials science ontology for semantic data integration. Maps concepts across materials databases, enabling interoperability between different data sources and vocabularies. OWL format.
European Materials Modelling Ontology — a top-level ontology for materials science and engineering. Provides a formal framework for representing materials, models, manufacturing processes, and characterization methods. OWL format.
Polymer Genome — a curated dataset and informatics platform for polymer property prediction. Contains 1K+ polymers with measured and predicted properties including glass transition temperature, dielectric constant, and bandgap.
The Materials Project — the canonical open database of computed materials properties. 154K+ inorganic materials with formation energies, band gaps, elastic tensors, and more. Accessible via REST API and pymatgen.
Joint Automated Repository for Various Integrated Simulations — NIST's curated database of 76K+ materials with DFT-computed properties including band structures, elastic constants, and optical properties. Includes 2D materials.
Graph Networks for Materials Exploration — Google DeepMind's dataset of 520K new stable inorganic materials discovered via active learning with GNNs. Dramatically expands known stable crystals.
Alexandria PBE dataset — 5.8 million structures with PBE-level DFT calculations from KU Leuven. Includes formation energies, band gaps, and thermodynamic stability data.
Open Materials 2024 — Meta FAIR's massive dataset of 118 million DFT-computed structures for training universal interatomic potentials. Covers diverse chemistries and structural motifs.
