• Formula : Te4Mo3
  • Space Group : R-3 (148)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 10.179
    b = 10.179
    c = 11.674
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 132
  • Band gap = 0.0 eV
    Direct Gap = 0.095 eV
    Metallicity = 0.033
    Topological Z2 indices ν = (1;111)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Hexamolybdenum Octatelluride, Mo~6~Te~8~,
    Acta Crystallographica Section C 54, 709 (1998)

Band structure with spin-orbit coupling