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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