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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