Dataset

Ag-PBE_MSMSE_2021




Species content of dataset


Dataset viewer powered by Hugging Face

Name :
Ag-PBE_MSMSE_2021
ColabFit ID :
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.
Num. Configurations :
7,589
Num. Atoms :
152,114
Downloads :
15
Calculated Property Types :
atomic_forces cauchy_stress energy
Elements :
Ag (100.0%)
Methods :
DFT-PBE+D3
Software :
VASP
Configuration Sets by Name :
Configuration Sets by ID :

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.