Dataset

LiSiPS_SSE_PBEsol



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Name LiSiPS_SSE_PBEsol
Extended ID LiSiPS-SSE-PBEsol_HuangZhangWangZhaoChengE__DS_th9w66lyxspv_0
Description 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.
Authors Jianxing Huang
Linfeng Zhang
Han Wang
Jinbao Zhao
Jun Cheng
Weinan E
Elements Li (40.0%)
P (8.0%)
S (48.0%)
Si (4.0%)
Number of Data Objects 2,357
Number of Configurations 2,357
Number of Atoms 313,150
Links https://doi.org/10.1063/5.0041849
https://www.aissquare.com/datasets/detail?pageType=datasets&name=LiSiPS-SSE-PBEsol
Configuration Sets by Name (None)
Configuration Sets by ID (None)
Data Objects
ColabFit ID DS_th9w66lyxspv_0
Files colabfitspec.json

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