Materials Data on HfAgB by Materials Project

Abstract

HfAgB is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Hf is bonded in a body-centered cubic geometry to four equivalent Ag and four equivalent B atoms. All Hf–Ag bond lengths are 2.62 Å. All Hf–B bond lengths are 2.62 Å. Ag is bonded to four equivalent Hf atoms to form AgHf4 tetrahedra that share corners with four equivalent BHf4 tetrahedra, corners with twelve equivalent AgHf4 tetrahedra, and edges with six equivalent BHf4 tetrahedra. B is bonded to four equivalent Hf atoms to form BHf4 tetrahedra that share corners with four equivalent AgHf4 tetrahedra, corners with twelve equivalent BHf4 tetrahedra, and edges with six equivalent AgHf4 tetrahedra.