Dataset

CrCoNi_Cao_2022


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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.
Calculated Property Types atomic_forces
cauchy_stress
energy
Elements Co (33.33%)
Cr (33.33%)
Ni (33.33%)
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)
Calculated Properties
ColabFit ID DS_z2mkok0egrm8_0
Files colabfitspec.json

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