Materials Data on HfCuGeAs by Materials Project

Abstract

HfCuGeAs is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Hf is bonded in a 12-coordinate geometry to four equivalent Ge and four equivalent As atoms. All Hf–Ge bond lengths are 2.85 Å. All Hf–As bond lengths are 2.78 Å. Cu is bonded to four equivalent As atoms to form a mixture of distorted edge and corner-sharing CuAs4 cuboctahedra. All Cu–As bond lengths are 2.53 Å. Ge is bonded in a 8-coordinate geometry to four equivalent Hf and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.64 Å. As is bonded in a 8-coordinate geometry to four equivalent Hf and four equivalent Cu atoms.