Materials Data on Ge by Materials Project

Ge crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a tetrahedral geometry to four equivalent Ge atoms. All Ge–Ge bond lengths are 2.81 Å. In the second Ge site, Ge is bonded to four Ge atoms to form corner-sharing GeGe4 tetrahedra. All Ge–Ge bond lengths are 2.48 Å. In the third Ge site, Ge is bonded in a distorted see-saw-like geometry to four Ge atoms. There are two shorter (2.50 Å) and one longer (2.60 Å) Ge–Ge bond lengths.

锗（Ge）结晶于立方Fd-3m空间群。该结构为三维结构。体系中存在3个不等价的锗位点。在第一个锗位点上，锗原子以四面体配位几何与4个等价的锗原子成键，所有Ge-Ge键长均为2.81 Å。在第二个锗位点上，锗原子与4个锗原子键合，形成共顶点的GeGe4四面体，所有Ge-Ge键长均为2.48 Å。在第三个锗位点上，锗原子以畸变跷跷板型配位几何与4个锗原子成键，存在2条键长为2.50 Å的较短Ge-Ge键与1条键长为2.60 Å的较长Ge-Ge键。

搜集汇总

背景与挑战

背景概述

该数据集由Materials Project提供，专注于锗（Ge）的晶体结构数据，详细描述了其立方Fd-3m空间群中的三维结构，包括三个不等价锗原子位点的键合几何和键长信息。这些信息对于理解锗的物理化学性质、材料设计和计算模拟具有重要价值。