Dataset
Ti_NPJCM_2021
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| Name | Ti_NPJCM_2021 |
|---|---|
| Extended ID | Ti_NPJCM_2021__Wen-Wang-Zhu-Zhang-Wang-Srolovitz-Wu__DS_aaocsvp2x40m_0 |
| Description | Approximately 7,400 configurations of titanium used for training a deep potential using the DeePMD-kit molecular dynamics package and DP-GEN training scheme. |
| Authors |
Tongqi Wen Rui Wang Lingyu Zhu Linfeng Zhang Han Wang David J. Srolovitz Zhaoxuan Wu |
| DOI |
10.60732/85e47ff3
https://commons.datacite.org/doi.org/10.60732/85e47ff3 https://doi.datacite.org/dois/10.60732%2F85e47ff3 https://doi.org/10.60732/85e47ff3 Cite as: Wen, T., Wang, R., Zhu, L., Zhang, L., Wang, H., Srolovitz, D. J., and Wu, Z. "Ti NPJCM 2021." ColabFit, 2023. https://doi.org/10.60732/85e47ff3. For other citation formats, see the DataCite Fabrica page for this dataset. |
| Calculated Property Types |
atomic_forces cauchy_stress energy |
| Elements |
Ti (100.0%)
|
| Number of Configurations | 7,376 |
| Number of Atoms | 143,792 |
| Publication Link | https://doi.org/10.1038/s41524-021-00661-y |
| Data Source Link | https://www.aissquare.com/datasets/detail?pageType=datasets&name=Ti |
| Configuration Sets by Name | |
| Configuration Sets by ID | |
| ColabFit ID | DS_aaocsvp2x40m_0 |
| Downloads | 14 |
| Files | colabfitspec.json |
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