Dataset
DAS_MLIP_CoSb_MgSb
Species content of dataset
Dataset viewer powered by Hugging Face
| Name | DAS_MLIP_CoSb_MgSb |
|---|---|
| Extended ID | DAS_MLIP_CoSb_MgSb__Yang-Zhu-Dong-Wu-Yang-Zhang__DS_eyo7scxvrfq0_0 |
| Description | Approximately 850 configurations of CoSb3 and Mg3Sb2 generated using a dual adaptive sampling (DAS) method for use with machine learning of interatomic potentials (MLIP). |
| Authors |
Hongliang Yang Yifan Zhu Erting Dong Yabei Wu Jiong Yang Wenqing Zhang |
| DOI |
10.60732/d28a2c1d
https://commons.datacite.org/doi.org/10.60732/d28a2c1d https://doi.datacite.org/dois/10.60732%2Fd28a2c1d https://doi.org/10.60732/d28a2c1d Cite as: Yang, H., Zhu, Y., Dong, E., Wu, Y., Yang, J., and Zhang, W. "DAS MLIP CoSb MgSb." ColabFit, 2023. https://doi.org/10.60732/d28a2c1d. For other citation formats, see the DataCite Fabrica page for this dataset. |
| Calculated Property Types |
atomic_forces cauchy_stress energy |
| Elements |
Mg (47.02%)
Sb (52.98%) |
| Number of Configurations | 846 |
| Number of Atoms | 247,744 |
| Publication Link | https://doi.org/10.1103/PhysRevB.104.094310 |
| Data Source Link | https://doi.org/10.1103/PhysRevB.104.094310 |
| Configuration Sets by Name | |
| Configuration Sets by ID | |
| ColabFit ID | DS_eyo7scxvrfq0_0 |
| Downloads | 13 |
| 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.