Download Dataset XYZ file

Name HfO2_DPGEN_PRB_2021
Extended ID HfO2_DPGEN_PRB_2021_WuZhangZhangLiu__DS_qgi1kbtdzwmm_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
DOI 10.60732/9fbd0fcb

Cite as: Wu, J., Zhang, Y., Zhang, L., and Liu, S. "HfO2 DPGEN PRB 2021." ColabFit, 2023.
For other citation formats, see the DataCite Fabrica page for this dataset.
Elements Hf (33.33%)
O (66.67%)
Number of Data Objects 28,564
Number of Configurations 28,564
Number of Atoms 2,741,376
Configuration Sets by Name (None)
Configuration Sets by ID (None)
Data Objects Too many to display
ColabFit ID DS_qgi1kbtdzwmm_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.