Dataset
Sn-SCAN_PRM_2023
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| Name | Sn-SCAN_PRM_2023 |
|---|---|
| Extended ID | Sn-SCAN_PRM_2023__Chen-Yuan-Liu-Geng-Zhang-Wang-Chen__DS_h1i3plesx7bc_0 |
| Description | Approximately 6,500 configurations of Sn, including Sn8, Sn16 and Sn32, used in developing a deep potential that predicts the phase diagram of Sn. |
| Authors |
Tao Chen Fengbo Yuan Jianchuan Liu Huayun Geng Linfeng Zhang Han Wang Mohan Chen |
| DOI |
10.60732/7d8a06fe
https://commons.datacite.org/doi.org/10.60732/7d8a06fe https://doi.datacite.org/dois/10.60732%2F7d8a06fe https://doi.org/10.60732/7d8a06fe Cite as: Chen, T., Yuan, F., Liu, J., Geng, H., Zhang, L., Wang, H., and Chen, M. "Sn-SCAN PRM 2023." ColabFit, 2023. https://doi.org/10.60732/7d8a06fe. For other citation formats, see the DataCite Fabrica page for this dataset. |
| Calculated Property Types |
atomic_forces cauchy_stress energy |
| Elements |
Sn (100.0%) |
| Number of Configurations | 6,721 |
| Number of Atoms | 113,584 |
| Links |
https://www.aissquare.com/datasets/detail?pageType=datasets&name=Sn-SCAN https://doi.org/10.1103/PhysRevMaterials.7.053603 |
| Configuration Sets by Name | (None) |
| Configuration Sets by ID | (None) |
| Calculated Properties | |
| ColabFit ID | DS_h1i3plesx7bc_0 |
| Files | colabfitspec.json |
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