Exploring the Intrinsic Point Defects in Cesium Copper Halides
收藏DataCite Commons2021-01-07 更新2025-04-10 收录
下载链接：
https://data.dtu.dk/articles/dataset/Exploring_the_Intrinsic_Point_Defects_in_Cesium_Copper_Halides/12981887/1
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资源简介：
This dataset is the supporting data for the manuscript <i>"Exploring the Intrinsic Point Defects in Cesium Copper Halides" </i>http://dx.doi.org/10.1021/acs.jpcc.0c11216<i>The data set contains all the relaxed structures in CONTCAR files and can be visualized with VESTA. And the related calculated total energy and input set parameters could be seen in the OUTCAR files. The electronic structure files could be visualized by p4vasp.<br></i>
提供机构：
Technical University of Denmark
创建时间：
2021-01-07
