Resonant Ce Doping for High-Mobility In2O3-Based Conductors with Enhanced Near-Infrared Transparency DFT Dataset

Final relaxed structures of In2O3 host supercell and defective supercells in the VASP POSCAR format. Also includes a .dat file containing the total energies of each defect species, all the post-processing defect correction values and the dielectric constant. Chemical potential details included in the ESI of paper.本数据集包含以VASP POSCAR格式存储的三氧化二铟（In₂O₃）本体超胞与缺陷超胞的最终弛豫结构；同时附带一份.dat格式数据文件，其中收录了各类缺陷的总能、全部后处理缺陷校正值以及介电常数。化学势相关细节已收录于论文的补充材料（ESI）中。