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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Cu2PdAu by Materials Project

PdAuCu2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pd is bonded in a distorted body-centered cubic geometry to eight equivalent Cu atoms. All Pd–Cu bond lengths are 2.64 Å. Au is bonded in a body-centered cubic geometry to eight equivalent Cu atoms. All Au–Cu bond lengths are 2.64 Å. Cu is bonded in a body-centered cubic geometry to four equivalent Pd and four equivalent Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cu3PdAu4 by Materials Project

PdAu4Cu3 is Tetraauricupride-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pd is bonded to four equivalent Pd and eight equivalent Au atoms to form a mixture of distorted face and corner-sharing PdPd4Au8 cuboctahedra. All Pd–Pd bond lengths are 2.90 Å. All Pd–Au bond lengths are 2.85 Å. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 12-coordinate geometry to four equivalent Pd and four equivalent Cu atoms. All Au–Cu bond lengths are 2.69 Å. In the second Au site, Au is bonded in a distorted body-centered cubic geometry to eight Cu atoms. There are four shorter (2.73 Å) and four longer (2.74 Å) Au–Cu bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a distorted body-centered cubic geometry to eight Au atoms. In the second Cu site, Cu is bonded in a distorted body-centered cubic geometry to eight equivalent Au atoms.

36 MATERIALS SCIENCE↗