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Title: Materials Data on VGePt by Materials Project

Dataset ·
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:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1313401
Report Number(s):
mp-961674
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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