Dataset

LiSiPS-SSE-PBE


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Name LiSiPS-SSE-PBE
Extended ID LiSiPS-SSE-PBE_HuangZhangWangZhaoChengE__DS_6jinoiixazcj_0
Description Approximately 9,100 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 PBEsol functional, rather than the PBE 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 9,151
Number of Configurations 9,151
Number of Atoms 2,100,100
Links https://www.aissquare.com/datasets/detail?pageType=datasets&name=LiSiPS-SSE-PBE
https://doi.org/10.1063/5.0041849
Configuration Sets by Name (None)
Configuration Sets by ID (None)
Data Objects
ColabFit ID DS_6jinoiixazcj_0
Files colabfitspec.json

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