Optimized POSCAR files for a paper entitled "Effect of native point defects on the photocatalytic performance of ZIS"
收藏Mendeley Data2024-03-27 更新2024-06-26 收录
下载链接：
https://data.mendeley.com/datasets/55sf4ykttj
下载链接
链接失效反馈官方服务：
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：
2024-01-23
