Dataset

REANN_CO2_Ni100


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Name REANN_CO2_Ni100
Extended ID REANN_CO2_Ni100_ZhangXiaJiang__DS_vso98nin62ed_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 9,850
Number of Configurations 9,845
Number of Atoms 383,955
Links https://github.com/zhangylch/REANN
https://doi.org/10.1021/acs.jpclett.9b00085
https://doi.org/10.1103/PhysRevLett.127.156002
https://doi.org/10.1063/5.0080766
Configuration Sets by Name
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Data Objects
ColabFit ID DS_vso98nin62ed_0
Files colabfitspec.json

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