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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