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DOE OSTI2020

Materials Data on LiPdAu2 by Materials Project

LiPdAu2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to six equivalent Pd and eight equivalent Au atoms. All Li–Pd bond lengths are 3.20 Å. All Li–Au bond lengths are 2.77 Å. Pd is bonded in a distorted body-centered cubic geometry to six equivalent Li and eight equivalent Au atoms. All Pd–Au bond lengths are 2.77 Å. Au is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li2PdAu by Materials Project

Li2PdAu is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to four equivalent Pd and four equivalent Au atoms. All Li–Pd bond lengths are 2.64 Å. All Li–Au bond lengths are 2.64 Å. Pd is bonded in a body-centered cubic geometry to eight equivalent Li atoms. Au is bonded in a body-centered cubic geometry to eight equivalent Li atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiPd2Au by Materials Project

LiPd2Au is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a distorted body-centered cubic geometry to eight equivalent Pd and six equivalent Au atoms. All Li–Pd bond lengths are 2.74 Å. All Li–Au bond lengths are 3.16 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Au atoms. All Pd–Au bond lengths are 2.74 Å. Au is bonded in a 8-coordinate geometry to six equivalent Li and eight equivalent Pd atoms.

36 MATERIALS SCIENCE↗