Materials Data on Er4AlSi3 by Materials Project

Abstract

Er4AlSi3 is Heusler-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a body-centered cubic geometry to four equivalent Al and four equivalent Si atoms. All Er–Al bond lengths are 3.08 Å. All Er–Si bond lengths are 2.99 Å. In the second Er site, Er is bonded in a body-centered cubic geometry to eight Si atoms. There are four shorter (3.03 Å) and four longer (3.07 Å) Er–Si bond lengths. Al is bonded in a body-centered cubic geometry to eight equivalent Er atoms. There are two inequivalent Si sites. In the first Si site, Si is bonded in a body-centered cubic geometry to eight Er atoms. In the second Si site, Si is bonded in a body-centered cubic geometry to eight equivalent Er atoms.