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Material Viewer: 4ed36f8003

Ba3Bi2LaO9 — 4ed36f8003

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  • Crystal properties

    a 6.28 Å
    b 6.28 Å
    c 15.35 Å
    α 89.5 °
    β 89.5 °
    γ 59.7 °
    Density 7.06 g/cm3
    Space group C2/m (12)
    Chemical system Ba-Bi-La-O
    Number of sites 30

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.

Possible perovskite

The material was identified by AI experts as a potential perovskite material with a probability of 99.93 ± 0.10 %.1

  • Predicted properties (perovskites)

    Value1 Model
    Band Gap 1.661 ± 0.058 eV E(3)NN (mixed)
    Band Gap 1.421 ± 0.091 eV E(3)NN (pure)
    Formation energy -2.604 eV/atom GNoME

  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. ↩↩