Dataset
Mg_edmonds_2022
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| Name | Mg_edmonds_2022 |
|---|---|
| Extended ID | Mg_edmonds_2022__Poul__DS_caktb6z8yiy7_0 |
| Description | 16748 configurations of magnesium with gathered energy, stress and forces at the DFT level of theory. |
| Authors |
Marvin Poul |
| DOI |
10.60732/4b13be86
https://commons.datacite.org/doi.org/10.60732/4b13be86 https://doi.datacite.org/dois/10.60732%2F4b13be86 https://doi.org/10.60732/4b13be86 Cite as: Poul, M. "Mg edmonds 2022." ColabFit, 2023. https://doi.org/10.60732/4b13be86. For other citation formats, see the DataCite Fabrica page for this dataset. |
| Calculated Property Types |
atomic_forces cauchy_stress energy |
| Elements |
Mg (100.0%)
|
| Number of Configurations | 16,746 |
| Number of Atoms | 78,239 |
| Publication Link | https://doi.org/10.1103/PhysRevB.107.104103 |
| Data Source Link | https://doi.org/10.17617/3.A3MB7Z |
| Configuration Sets by Name | |
| Configuration Sets by ID | |
| ColabFit ID | DS_caktb6z8yiy7_0 |
| Downloads | 14 |
| Files | colabfitspec.json |
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