Dataset

CrCoNi_Cao_2022


Download Dataset XYZ file

Name CrCoNi_Cao_2022
Extended ID CrCoNi_Cao_2022__Cao-Sheriff-Freitas__DS_z2mkok0egrm8_0
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)
Authors Yifan Cao
Killian Sheriff
Rodrigo Freitas
DOI None
https://commons.datacite.org/doi.org/None
https://doi.datacite.org/dois/None
https://doi.org/None

Cite as: Cao, Y., Sheriff, K., and Freitas, R. "CrCoNi Cao 2022." ColabFit, 2024. https://doi.org/None.
For other citation formats, see the DataCite Fabrica page for this dataset.
Property Types atomic_forces
cauchy_stress
energy
Elements Co (33.33%)
Cr (33.33%)
Ni (33.33%)
Number of Property Objects 1,257
Number of Configurations 1,257
Number of Atoms 108,684
Links https://github.com/yifan-henry-cao/MachineLearningPotential/blob/main/Training_datasets/Training_Cao_20220823.cfg
https://arxiv.org/abs/2311.01545
Configuration Sets by Name (None)
Configuration Sets by ID (None)
Property Objects
ColabFit ID DS_z2mkok0egrm8_0
Files colabfitspec.json

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.