Dataset
Sn-SCAN_PRM_2023
Download Dataset XYZ file
| 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. |
| Property Types |
atomic_forces cauchy_stress energy |
| Elements |
Sn (100.0%) |
| Number of Property Objects | 6,721 |
| 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) |
| Property Objects | Too many to display |
| ColabFit ID | DS_h1i3plesx7bc_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.