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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on HfInCu2 by Materials Project

HfCu2In is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hf is bonded in a body-centered cubic geometry to eight equivalent Cu and six equivalent In atoms. All Hf–Cu bond lengths are 2.77 Å. All Hf–In bond lengths are 3.20 Å. Cu is bonded in a body-centered cubic geometry to four equivalent Hf and four equivalent In atoms. All Cu–In bond lengths are 2.77 Å. In is bonded in a distorted body-centered cubic geometry to six equivalent Hf and eight equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfInCu2 by Materials Project

HfCu2In is Heusler-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Hf is bonded in a body-centered cubic geometry to eight equivalent Cu atoms. All Hf–Cu bond lengths are 2.79 Å. Cu is bonded in a distorted body-centered cubic geometry to four equivalent Hf and four equivalent In atoms. All Cu–In bond lengths are 2.81 Å. In is bonded in a distorted body-centered cubic geometry to eight equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hf2InCu2 by Materials Project

Hf2Cu2In crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 6-coordinate geometry to six equivalent Cu and four equivalent In atoms. There are two shorter (2.69 Å) and four longer (2.80 Å) Hf–Cu bond lengths. All Hf–In bond lengths are 3.21 Å. In the second Hf site, Hf is bonded in a 6-coordinate geometry to six equivalent Cu and four equivalent In atoms. There are four shorter (2.72 Å) and two longer (2.73 Å) Hf–Cu bond lengths. All Hf–In bond lengths are 3.13 Å. Cu is bonded in a 9-coordinate geometry to six Hf, one Cu, and two equivalent In atoms. The Cu–Cu bond length is 2.51 Å. Both Cu–In bond lengths are 2.85 Å. In is bonded in a 12-coordinate geometry to eight Hf and four equivalent Cu atoms.

36 MATERIALS SCIENCE↗