Dataset

REANN_CO2_Ni100



Download Dataset XYZ file

Name REANN_CO2_Ni100
Extended ID REANN_CO2_Ni100_ZhangXiaJiang__DS_s818rozdb6x6_0
Description Approximately 9,850 configurations of CO2 with a movable Ni(100) surface.
Authors Yaolong Zhang
Junfan Xia
Bin Jiang
Elements C (2.56%)
Ni (92.31%)
O (5.13%)
Number of Data Objects 9,845
Number of Configurations 9,850
Number of Atoms 384,150
Links https://doi.org/10.1021/acs.jpclett.9b00085
https://github.com/zhangylch/REANN
Configuration Sets by Name (None)
Configuration Sets by ID (None)
Data Objects
ColabFit ID DS_s818rozdb6x6_0
Files colabfitspec.json

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