Optimized POSCAR files for a paper entitled "Effect of native point defects on the photocatalytic performance of ZIS"
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https://data.mendeley.com/datasets/55sf4ykttj
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资源简介：
This data contains optimised POSCAR file for each calculation.
Example descriptions of symbols
V_Z = Zn vacancy defect
In_Zn = In substitution for Zn defect
Zn_i = Zn interstitial defect
chg+1 = charge state +1
chg-1 = charge state -1
chg-0 = charge state 0 or neutral
创建时间：
2021-12-26
