Dataset
MoNbTaVW_PRB2021
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| Name | MoNbTaVW_PRB2021 |
|---|---|
| Extended ID | MoNbTaVW_PRB2021__Byggmastar-Nordlund-Djurabekova__DS_0shp3qrqk9k9_0 |
| Description | This dataset was originally designed to fit a GAP model for the Mo-Nb-Ta-V-W quinary system that was used to study segregation and defects in the body-centered-cubic refractory high-entropy alloy MoNbTaVW. |
| Authors |
Jesper Byggmästar Kai Nordlund Flyura Djurabekova |
| DOI |
10.60732/00dc545a
https://commons.datacite.org/doi.org/10.60732/00dc545a https://doi.datacite.org/dois/10.60732%2F00dc545a https://doi.org/10.60732/00dc545a Cite as: Byggmästar, J., Nordlund, K., and Djurabekova, F. "MoNbTaVW PRB2021." ColabFit, 2023. https://doi.org/10.60732/00dc545a. For other citation formats, see the DataCite Fabrica page for this dataset. |
| Calculated Property Types |
atomic_forces cauchy_stress energy |
| Elements |
Mo (20.01%)
Nb (20.02%) Ta (20.09%) V (19.84%) W (20.04%) |
| Number of Configurations | 2,329 |
| Number of Atoms | 127,913 |
| Publication Link | https://doi.org/10.1103/PhysRevB.104.104101 |
| Data Source Link | https://doi.org/10.23729/1b845398-5291-4447-b417-1345acdd2eae |
| Configuration Sets by Name | |
| Configuration Sets by ID | |
| ColabFit ID | DS_0shp3qrqk9k9_0 |
| Downloads | 22 |
| Files | colabfitspec.json |
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