Dataset

NNP-Ga2O3


Download Dataset XYZ file

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
DOI 10.60732/6fd38e1f
https://commons.datacite.org/doi.org/10.60732/6fd38e1f
https://doi.datacite.org/dois/10.60732%2F6fd38e1f
https://doi.org/10.60732/6fd38e1f

Cite as: Li, R., Liu, Z., Rohskopf, A., Gordiz, K., Henry, A., Lee, E., and Luo, T. "NNP-Ga2O3." ColabFit, 2023. https://doi.org/10.60732/6fd38e1f.
For other citation formats, see the DataCite Fabrica page for this dataset.
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://github.com/RuiyangLi6/NNP_Ga2O3
https://doi.org/10.1063/5.0025051
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

No uploaded content is transferred in ownership from the original creators to ColabFit. All content is distributed under the license specified by its contributor who has stated that he or she has the authority to share it under the specified license.