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Material Viewer: 35ca0bcad2

Fe5Na4O22P6 — 35ca0bcad2

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  • Crystal properties

    a 6.67 Å
    b 10.87 Å
    c 12.81 Å
    α 76.3 °
    β 90.0 °
    γ 90.0 °
    Density 3.34 g/cm3
    Space group P21/c (14)
    Chemical system Fe-Na-O-P
    Number of sites 74

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 Na-cathode

The material was identified by AI experts as a potential cathode material for Na-ion batteries, with a probability of 98.41 ± 2.05 %.1

  • Predicted properties (cathode)

    Value1 Model
    Average voltage 4.314 ± 0.020 V E(3)NN (Na-cathode)
    Formation energy -2.439 eV/atom GNoME
    Gravimetric capacity 117.938 mAh/g E(3)NN (Na-cathode)
    Gravimetric energy 508.787 Wh/kg E(3)NN (Na-cathode)
    Max volume expansion 4.978 ± 0.915 % E(3)NN (Na-cathode)
    Stability charge 0.056 ± 0.013 eV/atom E(3)NN (Na-cathode)
    Stability discharge 0.010 ± 0.003 eV/atom E(3)NN (Na-cathode)
    Volumetric capacity 394.499 mAh/L E(3)NN (Na-cathode)
    Volumetric energy 1701.882 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. ↩↩