Data for Electronic and structural properties of Rh- and Pd-based kagome-layered shandites from first principles
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下载链接：
https://hdl.handle.net/11299/277309
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资源简介：
First-principles study of shandites M3A2Ch2, with M=Pd,Rh, A=Bi,In,Pb,Sn,Tl and Ch=S,Se. The density functional theory (DFT) and density functional perturbation theory (DFPT) were carried out using Abinit and the dataset contains all the input files needed to reproduce the results. The dataset contains also the cif files containing the relaxed shandite structure of each compound.
提供机构：
Data Repository for the University of Minnesota (DRUM)
创建时间：
2025-12-30
