• Formula : TlBiTe2
  • Space Group : R-3m (166)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 8.137
    b = 8.137
    c = 8.137
    α = 32.3
    β = 32.3
    γ = 32.3
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 40
  • Band gap = 0.0 eV
    Direct Gap = 0.197 eV
    Metallicity = 0.022
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystal structures of Tl Sb Te2 and Tl Bi Te2,
    Acta Crystallographica (1,1948-23,1967) 14, 328 (1961)

Band structure with spin-orbit coupling