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DOE OSTI2020

Materials Data on Mn2SbTe by Materials Project

Mn2SbTe is Caswellsilverite-like structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Mn2+ is bonded to three equivalent Sb2- and three equivalent Te2- atoms to form a mixture of face, edge, and corner-sharing MnSb3Te3 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. All Mn–Sb bond lengths are 2.77 Å. All Mn–Te bond lengths are 2.81 Å. Sb2- is bonded in a 6-coordinate geometry to six equivalent Mn2+ atoms. Te2- is bonded in a 6-coordinate geometry to six equivalent Mn2+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Mn2SbTe by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗