Materials Data on VGePt by Materials Project

Dataset · Fri Jul 24 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1313401· OSTI ID:1313401

VPtGe is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. V is bonded in a body-centered cubic geometry to four equivalent Pt and four equivalent Ge atoms. All V–Pt bond lengths are 2.55 Å. All V–Ge bond lengths are 2.55 Å. Pt is bonded to four equivalent V and six equivalent Ge atoms to form distorted PtV4Ge6 tetrahedra that share corners with four equivalent GeV4Pt6 tetrahedra, corners with six equivalent PtV4Ge6 tetrahedra, edges with six equivalent GeV4Pt6 tetrahedra, and faces with twelve equivalent PtV4Ge6 tetrahedra. All Pt–Ge bond lengths are 2.95 Å. Ge is bonded to four equivalent V and six equivalent Pt atoms to form distorted GeV4Pt6 tetrahedra that share corners with four equivalent PtV4Ge6 tetrahedra, corners with six equivalent GeV4Pt6 tetrahedra, edges with six equivalent PtV4Ge6 tetrahedra, and faces with twelve equivalent GeV4Pt6 tetrahedra.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1313401
• Report Number(s): mp-961674
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ge-Pt-V
VGePt
crystal structure