Dataset

HfO2_DPGEN_PRB_2021



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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
Elements Hf (33.33%)
O (66.67%)
Number of Data Objects 28,508
Number of Configurations 28,564
Number of Atoms 2,741,376
Links https://doi.org/10.1103/PhysRevB.103.024108
https://www.aissquare.com/datasets/detail?pageType=datasets&name=HfO2-dpgen
Configuration Sets by Name (None)
Configuration Sets by ID (None)
Data Objects Too many to display
ColabFit ID DS_qgi1kbtdzwmm_0
Files colabfitspec.json

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