• Formula : BiTe
  • Space Group : P-3m1 (164)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 4.422
    b = 4.422
    c = 24.05
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 126
  • Band gap = 0.0457 eV
    Direct Gap = 0.097 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;001)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Tsumoite, BiTe, a new mineral from Tsumo mine, Japan,
    American Mineralogist 63, 1162 (1978)

Band structure with spin-orbit coupling