• Formula : Mn3TeO6
  • Space Group : R-3 (148)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 8.8673
    b = 8.8673
    c = 10.6729
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 174
  • Band gap = 0.0 eV
    Direct Gap = 0.001 eV
    Metallicity = 0.493
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Mn~3~TeO~6~,
    Acta Crystallographica Section E 62, i244 (2006)

Band structure with spin-orbit coupling