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Materials Data on MnSnPt by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1277029· OSTI ID:1277029
PtMnSn is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mn is bonded in a body-centered cubic geometry to four equivalent Pt and four equivalent Sn atoms. All Mn–Pt bond lengths are 2.65 Å. All Mn–Sn bond lengths are 2.65 Å. Pt is bonded to four equivalent Mn and six equivalent Sn atoms to form distorted PtMn4Sn6 tetrahedra that share corners with four equivalent SnMn4Pt6 tetrahedra, corners with six equivalent PtMn4Sn6 tetrahedra, edges with six equivalent SnMn4Pt6 tetrahedra, and faces with twelve equivalent PtMn4Sn6 tetrahedra. All Pt–Sn bond lengths are 3.06 Å. Sn is bonded to four equivalent Mn and six equivalent Pt atoms to form distorted SnMn4Pt6 tetrahedra that share corners with four equivalent PtMn4Sn6 tetrahedra, corners with six equivalent SnMn4Pt6 tetrahedra, edges with six equivalent PtMn4Sn6 tetrahedra, and faces with twelve equivalent SnMn4Pt6 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:
1277029
Report Number(s):
mp-583030
Country of Publication:
United States
Language:
English

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