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Material Viewer: 092187976b

LiNaS12V6 — 092187976b

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  • Crystal properties

    a 5.42 Å
    b 5.42 Å
    c 13.56 Å
    α 90.0 °
    β 90.0 °
    γ 120.0 °
    Density 3.47 g/cm3
    Space group P31m (162)
    Chemical system Li-Na-S-V
    Number of sites 20

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 Li-cathode

The material was identified by AI experts as a potential cathode material for Li-ion batteries, with a probability of 68.44 ± 10.95 %.1

Possible Na-cathode

The material was identified by AI experts as a potential cathode material for Na-ion batteries, with a probability of 64.43 ± 17.48 %.1

  • Predicted properties (cathode)

    Value1 Model
    Average voltage 1.870 ± 0.109 V E(3)NN (Li-cathode)
    Average voltage 1.869 ± 0.175 V E(3)NN (Na-cathode)
    Formation energy -1.299 eV/atom GNoME
    Gravimetric capacity 37.209 mAh/g E(3)NN (Li-cathode)
    Gravimetric capacity 37.209 mAh/g E(3)NN (Na-cathode)
    Gravimetric energy 69.564 Wh/kg E(3)NN (Li-cathode)
    Gravimetric energy 69.527 Wh/kg E(3)NN (Na-cathode)
    Max volume expansion 5.476 ± 2.428 % E(3)NN (Li-cathode)
    Max volume expansion 10.551 ± 3.114 % E(3)NN (Na-cathode)
    Stability charge 0.071 ± 0.028 eV/atom E(3)NN (Li-cathode)
    Stability charge 0.005 ± 0.002 eV/atom E(3)NN (Na-cathode)
    Stability discharge 0.070 ± 0.005 eV/atom E(3)NN (Li-cathode)
    Stability discharge 0.005 ± 0.004 eV/atom E(3)NN (Na-cathode)
    Volumetric capacity 129.090 mAh/L E(3)NN (Li-cathode)
    Volumetric capacity 129.090 mAh/L E(3)NN (Na-cathode)
    Volumetric energy 241.340 Wh/L E(3)NN (Li-cathode)
    Volumetric energy 241.215 Wh/L E(3)NN (Na-cathode)

  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. ↩↩↩