Dataset

AgAu-nanoalloy_MSMSE_2021


Download Original Data Files 113.6 MB
Download Dataset Parquet Files 59.9 MB
Download Dataset XYZ Files 50.9 MB
Find on Hugging Face 🤗

Species content of dataset


Name :
AgAu-nanoalloy_MSMSE_2021
Authors :
Yinan Wang, Xiaoyang Wang, Linfeng Zhang, Ben Xu, Han Wang
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.
DOI :
https://doi.org/10.60732/a222a0f6 https://commons.datacite.org/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.
ColabFit ID :
DS_t0ec1irmeo59_0
Extended ID :
AgAu-nanoalloy_MSMSE_2021__Wang-Wang-Zhang-Xu-Wang__DS_t0ec1irmeo59_0
Date Added :
2023-06-30
License :
LGPL-3.0-only
Downloads :
61
Num. Configurations :
51,702
Num. Atoms :
1,186,478
Calculated Property Types :
atomic_forces cauchy_stress energy
Elements :
Ag (45.99%) Au (54.01%)
Methods :
DFT-PBE+D3
Software :
VASP
Publication Link :
https://doi.org/10.1088/1361-651X/ac4002
Data Source Link :
https://www.aissquare.com/datasets/detail?pageType=datasets&name=AgAu-nanoalloy
Other Links :
https://doi.org/10.48550/arXiv.2108.06232
Spec File :
colabfitspec.json
Configuration Sets by Name :
Configuration Sets by ID :
Dataset viewer powered by Hugging Face
Report an issue with this dataset

No uploaded content is transferred in ownership from the original creators to ColabFit. All content is distributed under the license specified by its contributor who has stated that he or she has the authority to share it under the specified license.