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  • Crystal properties

    a Å
    b Å
    c Å
    α °
    β °
    γ °
    Density g/cm³
    Space group
    Chemical system
    Number of sites

Data contained in the Graph Networks for Materials Exploration (GNoME) Database is available for use under the terms of the Creative Commons Attribution Noncommercial 4.0 International Licence (CC BY NC 4.0). If you are using this resource please cite the following publications:

  • Merchant, A., Batzner, S., Schoenholz, S.S. et al. "Scaling deep learning for materials discovery". Nature 624, 80-85, 2023. doi: 10.1038/s41586-023-06735-9.
  • De Angelis P., Trezza G., Barletta G., Asinari P., Chiavazzo E. "Energy-GNoME: A Living Database of Selected Materials for Energy Applications". arXiv November 15, 2024. doi: 10.48550/arXiv.2411.10125.

  1. The value after the '±' symbol does not indicate the uncertainty of the model but rather the deviation, specifically the root mean square error (RMSE) among the committee of models used. The value before the symbol represents the mean prediction from the committee.  ↩ ↩