Materials Data on VGaNi by Materials Project

Abstract

VNiGa is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. V is bonded in a body-centered cubic geometry to four equivalent Ni and four equivalent Ga atoms. All V–Ni bond lengths are 2.46 Å. All V–Ga bond lengths are 2.46 Å. Ni is bonded to four equivalent V and six equivalent Ga atoms to form distorted NiV4Ga6 tetrahedra that share corners with four equivalent GaV4Ni6 tetrahedra, corners with six equivalent NiV4Ga6 tetrahedra, edges with six equivalent GaV4Ni6 tetrahedra, and faces with twelve equivalent NiV4Ga6 tetrahedra. All Ni–Ga bond lengths are 2.84 Å. Ga is bonded to four equivalent V and six equivalent Ni atoms to form distorted GaV4Ni6 tetrahedra that share corners with four equivalent NiV4Ga6 tetrahedra, corners with six equivalent GaV4Ni6 tetrahedra, edges with six equivalent NiV4Ga6 tetrahedra, and faces with twelve equivalent GaV4Ni6 tetrahedra.