Dataset

CrCoNi_Cao_2022


Download Original Data Files 2.4 MB
Download Dataset Parquet Files 3.9 MB
Download Dataset XYZ Files 3.3 MB
Find on Hugging Face 🤗

Species content of dataset


Name :
CrCoNi_Cao_2022
Authors :
Yifan Cao, Killian Sheriff, Rodrigo Freitas
Description :
Training dataset that captures chemical short-range order in equiatomic CrCoNi medium-entropy alloy published with our work Quantifying chemical short-range order in metallic alloys (description provided by authors)
DOI :
https://doi.org/10.60732/76208b62 https://commons.datacite.org/doi.org/10.60732/76208b62
Cite As :
Cao, Y., Sheriff, K., and Freitas, R. "CrCoNi Cao 2022." ColabFit, 2024. https://doi.org/10.60732/76208b62.
ColabFit ID :
DS_z2mkok0egrm8_0
Extended ID :
CrCoNi_Cao_2022__Cao-Sheriff-Freitas__DS_z2mkok0egrm8_0
Date Added :
2024-09-28
License :
MIT
Downloads :
65
Num. Configurations :
1,257
Num. Atoms :
108,684
Calculated Property Types :
atomic_forces cauchy_stress energy
Elements :
Co (33.33%) Cr (33.33%) Ni (33.33%)
Methods :
DFT-PBE
Software :
VASP 6.2.1
Publication Link :
https://doi.org/10.1073/pnas.2322962121
Data Source Link :
https://github.com/yifan-henry-cao/MachineLearningPotential/blob/main/Training_datasets/Training_Cao_20220823.cfg
Other Links :
https://arxiv.org/abs/2311.01545
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.