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Material Viewer: ac2022f2d0

Bi3Sb13Te3 — ac2022f2d0

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  • Crystal properties

    a 4.42 Å
    b 4.42 Å
    c 37.12 Å
    α 86.6 °
    β 93.4 °
    γ 119.9 °
    Density 6.86 g/cm3
    Space group Cm (8)
    Chemical system Bi-Sb-Te
    Number of sites 19

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 thermoelectric

The material was identified by AI experts as a potential thermoelectric material for 300 K, 430 K, 560 K, 690 K, 820 K and 950 K working temperatures, with a probability of : 98.95 ± 2.02 % for 300 K, 98.20 ± 2.94 % for 430 K, 97.12 ± 5.10 % for 560 K, 97.34 ± 4.97 % for 690 K, 96.68 ± 5.18 % for 820 K and 95.82 ± 5.46 % for 950 K.1

  • Predicted properties (thermoelectric)

    Value1 Model
    Formation energy -0.253 eV/atom GNoME
    zT 0.584 ± 0.007 E(3)NN (300K)
    zT 0.453 ± 0.000 E(3)NN (430K)
    zT 0.475 ± 0.000 E(3)NN (560K)
    zT 0.929 ± 0.026 E(3)NN (690K)
    zT 1.121 ± 0.026 E(3)NN (820K)
    zT 1.355 ± 0.024 E(3)NN (950K)

  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. ↩↩