Dataset
Ag-PBE_MSMSE_2021
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| Name | Ag-PBE_MSMSE_2021 |
|---|---|
| Extended ID | Ag-PBE_MSMSE_2021__Wang-Wang-Zhang-Xu-Wang__DS_6e5ljaqa3cfr_0 |
| Description | Approximately 7,600 configurations of Ag used as part of a training dataset for a DP-GEN-based ML model for a Ag-Au nanoalloy potential. |
| Authors |
Yinan Wang Xiaoyang Wang Linfeng Zhang Ben Xu Han Wang |
| DOI |
10.60732/93adbc95
https://commons.datacite.org/doi.org/10.60732/93adbc95 https://doi.datacite.org/dois/10.60732%2F93adbc95 https://doi.org/10.60732/93adbc95 Cite as: Wang, Y., Wang, X., Zhang, L., Xu, B., and Wang, H. "Ag-PBE MSMSE 2021." ColabFit, 2023. https://doi.org/10.60732/93adbc95. For other citation formats, see the DataCite Fabrica page for this dataset. |
| Calculated Property Types |
atomic_forces cauchy_stress energy |
| Elements |
Ag (100.0%) |
| Number of Configurations | 7,608 |
| Number of Atoms | 152,318 |
| Links |
https://www.aissquare.com/datasets/detail?pageType=datasets&name=Ag-PBE https://doi.org/10.48550/arXiv.2108.06232 |
| Configuration Sets by Name | (None) |
| Configuration Sets by ID | (None) |
| Calculated Properties | |
| ColabFit ID | DS_6e5ljaqa3cfr_0 |
| Files | colabfitspec.json |
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