Jianxing Huang,
Linfeng Zhang,
Han Wang,
Jinbao Zhao,
Jun Cheng,
Weinan E,
Version 0 of Colab Fit Dataset published 2023 via ColabFit
Approximately 2,300 configurations of Li10SiP2S12, based on crystal structures from the Materials Project database, material ID mp-696129. One of two LiSiPS datasets from this source. The other uses the PBE functional, rather than the PBEsol functional.