Dataset
LiGePS_SSE_PBE
Species content of dataset
Dataset viewer powered by Hugging Face
| Name | LiGePS_SSE_PBE |
|---|---|
| Extended ID | LiGePS_SSE_PBE__Huang-Zhang-Wang-Zhao-Cheng-E__DS_4lev0d7cs1yl_0 |
| Description | Approximately 6,500 configurations of Li10GeP2S12, based on crystal structures from the Materials Project database, material ID mp-696129. One of two LiGePS 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 |
| DOI |
10.60732/5ebf5a54
https://commons.datacite.org/doi.org/10.60732/5ebf5a54 https://doi.datacite.org/dois/10.60732%2F5ebf5a54 https://doi.org/10.60732/5ebf5a54 Cite as: Huang, J., Zhang, L., Wang, H., Zhao, J., Cheng, J., and E, W. "LiGePS SSE PBE." ColabFit, 2023. https://doi.org/10.60732/5ebf5a54. For other citation formats, see the DataCite Fabrica page for this dataset. |
| Calculated Property Types |
atomic_forces cauchy_stress energy |
| Elements |
Ge (4.0%)
Li (40.0%) P (8.0%) S (48.0%) |
| Number of Configurations | 6,549 |
| Number of Atoms | 1,478,600 |
| Publication Link | https://doi.org/10.1063/5.0041849 |
| Data Source Link | https://www.aissquare.com/datasets/detail?pageType=datasets&name=LiGePS-SSE-PBE |
| Configuration Sets by Name | |
| Configuration Sets by ID | |
| ColabFit ID | DS_4lev0d7cs1yl_0 |
| Downloads | 9 |
| 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.