Dataset
Au-PBE_MSMSE_2021
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| Name | Au-PBE_MSMSE_2021 |
|---|---|
| Extended ID | Au-PBE_MSMSE_2021__Wang-Wang-Zhang-Xu-Wang__DS_tydu7u0h0hhz_0 |
| Description | Approximately 20,000 configurations of Au 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/c4492535
https://commons.datacite.org/doi.org/10.60732/c4492535 https://doi.datacite.org/dois/10.60732%2Fc4492535 https://doi.org/10.60732/c4492535 Cite as: Wang, Y., Wang, X., Zhang, L., Xu, B., and Wang, H. "Au-PBE MSMSE 2021." ColabFit, 2023. https://doi.org/10.60732/c4492535. For other citation formats, see the DataCite Fabrica page for this dataset. |
| Calculated Property Types |
atomic_forces cauchy_stress energy |
| Elements |
Au (100.0%) |
| Number of Configurations | 19,434 |
| Number of Atoms | 310,792 |
| Links |
https://www.aissquare.com/datasets/detail?pageType=datasets&name=Au-PBE https://doi.org/10.48550/arXiv.2108.06232 |
| Configuration Sets by Name | (None) |
| Configuration Sets by ID | (None) |
| Calculated Properties | |
| ColabFit ID | DS_tydu7u0h0hhz_0 |
| Files | colabfitspec.json |
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