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DOE OSTI2020

Materials Data on HfSiPt by Materials Project

HfPtSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Hf is bonded in a 11-coordinate geometry to six equivalent Pt and five equivalent Si atoms. There are a spread of Hf–Pt bond distances ranging from 2.98–3.11 Å. There are three shorter (2.75 Å) and two longer (2.85 Å) Hf–Si bond lengths. Pt is bonded in a 12-coordinate geometry to six equivalent Hf and four equivalent Si atoms. There are a spread of Pt–Si bond distances ranging from 2.48–2.58 Å. Si is bonded in a 9-coordinate geometry to five equivalent Hf and four equivalent Pt atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on HfSiPt by Materials Project

HfPtSi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Hf is bonded in a 10-coordinate geometry to six equivalent Pt and four equivalent Si atoms. All Hf–Pt bond lengths are 3.02 Å. All Hf–Si bond lengths are 2.62 Å. Pt is bonded in a 10-coordinate geometry to six equivalent Hf and four equivalent Si atoms. All Pt–Si bond lengths are 2.62 Å. Si is bonded in a body-centered cubic geometry to four equivalent Hf and four equivalent Pt atoms.

36 MATERIALS SCIENCE↗