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 |
10.60732/76208b62
https://commons.datacite.org/doi.org/10.60732/76208b62 https://doi.datacite.org/dois/10.60732%2F76208b62 https://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. 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 |
| Publication Link | https://arxiv.org/abs/2311.01545 |
| Data Source Link | https://github.com/yifan-henry-cao/MachineLearningPotential/blob/main/Training_datasets/Training_Cao_20220823.cfg |
| Configuration Sets by Name | |
| Configuration Sets by ID | |
| ColabFit ID | DS_z2mkok0egrm8_0 |
| Downloads | 35 |
| Files | colabfitspec.json |
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