Born effective charges for 2(H2O), H2O, MAPbI3, liquid NaCl, and ZrO2
收藏官方服务：
资源简介：
Datasets containing the Born effective charges of 2(H2O), H2O, MAPbI3, liquid NaCl, and ZrO2.Five subsets are provided:–2(H2O)/Water dimer, 150 configurations–liquid H2O, 100 configurations, 64 molecules–MAPbI3, 300 configurations, three phases, 96 atoms–liquid NaCl, 134 configurations, 128 atoms–ZrO2, 119 configurations, 96 atomsVASP POSCAR and OUTCAR files are provided alongside an extended xyz file.See preprint for more details:DOI: 10.48550/arXiv.2602.04773
提供机构：
Zenodo创建时间：
2026-04-03
