Dataset
HfO2-DPGEN-PRB-2021
Download Dataset XYZ file
| Name | HfO2-DPGEN-PRB-2021 |
|---|---|
| Extended ID | HfO2-DPGEN-PRB-2021_WuZhangZhangLiu__DS_klj8wt21p021_0 |
| Description | Approximately 28,500 configurations of hafnia (HfO2) used in the training of a DP model for the prediction of properties of various hafnia polymorphs, including transition barriers between different phases. |
| Authors |
Jing Wu Yuzhi Zhang Linfeng Zhang Shi Liu |
| Elements |
Hf (33.33%) O (66.67%) |
| Number of Data Objects | 28,508 |
| Number of Configurations | 28,508 |
| Number of Atoms | 2,736,768 |
| Links |
https://www.aissquare.com/datasets/detail?pageType=datasets&name=HfO2-dpgen https://doi.org/10.1103/PhysRevB.103.024108 |
| Configuration Sets by Name | (None) |
| Configuration Sets by ID | (None) |
| Data Objects | Too many to display |
| ColabFit ID | DS_klj8wt21p021_0 |
| 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.