Materials Data on ZnAgAs by Materials Project

Abstract

AgZnAs is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ag1+ is bonded to four equivalent As3- atoms to form AgAs4 tetrahedra that share corners with four equivalent ZnAs4 tetrahedra, corners with twelve equivalent AgAs4 tetrahedra, and edges with six equivalent ZnAs4 tetrahedra. All Ag–As bond lengths are 2.70 Å. Zn2+ is bonded to four equivalent As3- atoms to form ZnAs4 tetrahedra that share corners with four equivalent AgAs4 tetrahedra, corners with twelve equivalent ZnAs4 tetrahedra, and edges with six equivalent AgAs4 tetrahedra. All Zn–As bond lengths are 2.70 Å. As3- is bonded in a body-centered cubic geometry to four equivalent Ag1+ and four equivalent Zn2+ atoms.