标题: 向各位大神求MXene Ti3C2OHF的cif文件 [打印本页] 作者Author: 守月之殇 时间: 2023-8-12 11:02 标题: 向各位大神求MXene Ti3C2OHF的cif文件 求MXene Ti3C2OHF的cif文件(如图)
请问哪位大神有这个结构啊？麻烦分享一下 作者Author: GoldenBaby 时间: 2023-8-13 18:29
All atoms in Ti3C2X are relaxed within a 3×3×1 super-cell based on the primitive cell of Ti3AlC2 until Hellmann–Feynman force convergence is achieved at 0.01 eV Å-1 with a 3×3×1 Γ-centered k-mesh.
