Materials Data on BeInBi by Materials Project

Abstract

BeInBi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Be is bonded to four equivalent Bi atoms to form BeBi4 tetrahedra that share corners with four equivalent InBi4 tetrahedra, corners with twelve equivalent BeBi4 tetrahedra, and edges with six equivalent InBi4 tetrahedra. All Be–Bi bond lengths are 3.04 Å. In is bonded to four equivalent Bi atoms to form InBi4 tetrahedra that share corners with four equivalent BeBi4 tetrahedra, corners with twelve equivalent InBi4 tetrahedra, and edges with six equivalent BeBi4 tetrahedra. All In–Bi bond lengths are 3.04 Å. Bi is bonded in a body-centered cubic geometry to four equivalent Be and four equivalent In atoms.