Dataset
AgAu-nanoalloy_MSMSE_2021
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| Name | AgAu-nanoalloy_MSMSE_2021 |
|---|---|
| Extended ID | AgAu-nanoalloy_MSMSE_2021__Wang-Wang-Zhang-Xu-Wang__DS_t0ec1irmeo59_0 |
| Description | Approximately 50,000 configurations of Au, Ag and AuAg 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/a222a0f6
https://commons.datacite.org/doi.org/10.60732/a222a0f6 https://doi.datacite.org/dois/10.60732%2Fa222a0f6 https://doi.org/10.60732/a222a0f6 Cite as: Wang, Y., Wang, X., Zhang, L., Xu, B., and Wang, H. "AgAu-nanoalloy MSMSE 2021." ColabFit, 2023. https://doi.org/10.60732/a222a0f6. For other citation formats, see the DataCite Fabrica page for this dataset. |
| Calculated Property Types |
atomic_forces cauchy_stress energy |
| Elements |
Ag (45.98%) Au (54.02%) |
| Number of Configurations | 51,771 |
| Number of Atoms | 1,188,220 |
| Links |
https://www.aissquare.com/datasets/detail?pageType=datasets&name=AgAu-nanoalloy https://doi.org/10.48550/arXiv.2108.06232 |
| Configuration Sets by Name |
AgAu-nanoalloy_MSMSE_2021-Ag — Ag-only configurations from AgAu-nanoalloy_MSMSE_2021 dataset AgAu-nanoalloy_MSMSE_2021-Au — Au-only configurations from AgAu-nanoalloy_MSMSE_2021 dataset AgAu-nanoalloy_MSMSE_2021-AgAu — Ag-Au configurations from AgAu-nanoalloy_MSMSE_2021 dataset |
| Configuration Sets by ID |
CS_fo154li27npx_0 CS_r4o7wrrqh4yt_0 CS_yryelo2orse2_0 |
| Calculated Properties | |
| ColabFit ID | DS_t0ec1irmeo59_0 |
| Files | colabfitspec.json |
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