DFT and molecular data for stanene (2D tin)
收藏DataCite Commons2025-10-16 更新2026-05-04 收录
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https://repod.icm.edu.pl/citation?persistentId=doi:10.18150/KKRANC
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资源简介：
The dataset contains:Crystallographic Information Files (CIF) for the flat (Sn_F_NC_PBEsol.cif), low-buckled (Sn_LB_NC_PBEsol.cif), high-buckled (Sn_HB_NC_PBEsol.cif), full dumbbell (Sn_FD_NC_PBEsol.cif), trigonal dumbbell (Sn_P3xP3td_NC_PBEsol.cif), honeycomb dumbbell (Sn_P3xP3hd_NC_PBEsol.cif), and large honeycomb dumbbell (Sn_P3xP3lhd_NC_PBEsol.cif) monolayer tin (stanene) phases resulting from DFT calculationsA set of input files in free format for the LAMMPS program used to perform molecular calculations for the analyzed structures
提供机构：
RepOD
创建时间：
2025-10-14
