Materials Data on HfSnPt by Materials Project

Dataset · Fri May 29 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1196084· OSTI ID:1196084

HfPtSn is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Hf is bonded in a body-centered cubic geometry to four equivalent Pt and four equivalent Sn atoms. All Hf–Pt bond lengths are 2.82 Å. All Hf–Sn bond lengths are 2.82 Å. Pt is bonded to four equivalent Hf and six equivalent Sn atoms to form distorted PtHf4Sn6 tetrahedra that share corners with four equivalent SnHf4Pt6 tetrahedra, corners with six equivalent PtHf4Sn6 tetrahedra, edges with six equivalent SnHf4Pt6 tetrahedra, and faces with twelve equivalent PtHf4Sn6 tetrahedra. All Pt–Sn bond lengths are 3.26 Å. Sn is bonded to four equivalent Hf and six equivalent Pt atoms to form distorted SnHf4Pt6 tetrahedra that share corners with four equivalent PtHf4Sn6 tetrahedra, corners with six equivalent SnHf4Pt6 tetrahedra, edges with six equivalent PtHf4Sn6 tetrahedra, and faces with twelve equivalent SnHf4Pt6 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: 1196084
• Report Number(s): mp-20889
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Hf-Pt-Sn
HfSnPt
crystal structure