Dataset
NEP_PRB_2021
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| Name | NEP_PRB_2021 |
|---|---|
| Extended ID | NEP_PRB_2021__Fan__DS_yg0yzoiwoux8_0 |
| Description | Approximately 7,000 distinct configurations of 2D-silicene, silicon, and PbTe. Silicon data used from http://dx.doi.org/10.1103/PhysRevX.8.041048. Dataset includes predicted force, potential energy and virial values. |
| Authors |
Zheyong Fan |
| DOI |
10.60732/7cc0df9e
https://commons.datacite.org/doi.org/10.60732/7cc0df9e https://doi.datacite.org/dois/10.60732%2F7cc0df9e https://doi.org/10.60732/7cc0df9e Cite as: Fan, Z. "NEP PRB 2021." ColabFit, 2023. https://doi.org/10.60732/7cc0df9e. For other citation formats, see the DataCite Fabrica page for this dataset. |
| Calculated Property Types |
atomic_forces cauchy_stress energy |
| Elements |
Pb (7.33%)
Si (85.35%) Te (7.33%) |
| Number of Configurations | 7,077 |
| Number of Atoms | 528,999 |
| Publication Link | https://doi.org/10.1103/PhysRevB.104.104309 |
| Data Source Link | https://doi.org/10.5281/zenodo.5109599 |
| Configuration Sets by Name | |
| Configuration Sets by ID | |
| ColabFit ID | DS_yg0yzoiwoux8_0 |
| Downloads | 29 |
| Files | colabfitspec.json |
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