Materials Data on TiGePt by Materials Project

Abstract

TiPtGe is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ti is bonded in a body-centered cubic geometry to four equivalent Pt and four equivalent Ge atoms. All Ti–Pt bond lengths are 2.61 Å. All Ti–Ge bond lengths are 2.61 Å. Pt is bonded to four equivalent Ti and six equivalent Ge atoms to form distorted PtTi4Ge6 tetrahedra that share corners with four equivalent GeTi4Pt6 tetrahedra, corners with six equivalent PtTi4Ge6 tetrahedra, edges with six equivalent GeTi4Pt6 tetrahedra, and faces with twelve equivalent PtTi4Ge6 tetrahedra. All Pt–Ge bond lengths are 3.01 Å. Ge is bonded to four equivalent Ti and six equivalent Pt atoms to form distorted GeTi4Pt6 tetrahedra that share corners with four equivalent PtTi4Ge6 tetrahedra, corners with six equivalent GeTi4Pt6 tetrahedra, edges with six equivalent PtTi4Ge6 tetrahedra, and faces with twelve equivalent GeTi4Pt6 tetrahedra.