Dataset

NNP-Ga2O3



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Name NNP-Ga2O3
Extended ID NNP-Ga2O3_LiLiuRohskopfGordizHenryLeeLuo__DS_3qumwe2j8lib_0
Description 9,200 configurations of beta-Ga2O3, including two configuration sets. One contains DFT data for 8400 configurations simulated between temperatures of 50K - 600K. The second contains configurations with 0K simulation temperature.
Authors Ruiyang Li
Zeyu Liu
Andrew Rohskopf
Kiarash Gordiz
Asegun Henry
Eungkyu Lee
Tengfei Luo
Elements Ga (40.0%)
O (60.0%)
Number of Data Objects 9,200
Number of Configurations 9,200
Number of Atoms 2,944,000
Links https://doi.org/10.1063/5.0025051
https://github.com/RuiyangLi6/NNP_Ga2O3
Configuration Sets by Name NNP-Ga2O3_with_0K — All configurations from NNP-Ga2O3 dataset, including those simulated between temperatures 0K - 600K
NNP-Ga2O3_without_0K — Configurations from NNP-Ga2O3 dataset simulated between temperatures 50K - 600K
Configuration Sets by ID CS_vx0e182435cn_0
CS_a7yw2ig3vq6d_0
Data Objects
ColabFit ID DS_3qumwe2j8lib_0
Files colabfitspec.json

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