Materials Data on Mg4CdAg5 by Materials Project

Abstract

Mg4Ag5Cd is Heusler-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a body-centered cubic geometry to eight Ag atoms. There are four shorter (2.87 Å) and four longer (2.90 Å) Mg–Ag bond lengths. In the second Mg site, Mg is bonded in a body-centered cubic geometry to eight Ag atoms. There are four shorter (2.90 Å) and four longer (2.91 Å) Mg–Ag bond lengths. There are three inequivalent Ag sites. In the first Ag site, Ag is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Cd atoms. All Ag–Cd bond lengths are 2.94 Å. In the second Ag site, Ag is bonded in a body-centered cubic geometry to eight Mg atoms. In the third Ag site, Ag is bonded in a body-centered cubic geometry to eight equivalent Mg atoms. Cd is bonded in a body-centered cubic geometry to eight equivalent Ag atoms.