• Formula : Bi4Te3
  • Space Group : R-3m (166)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.451
    b = 4.451
    c = 41.888
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 7
    Total number of electrons per primitive cell = 78
  • Band gap = 0.0 eV
    Direct Gap = 0.012 eV
    Metallicity = 0.112
    Topological Z2 indices ν = (0;111)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Bismuth tellurides: BiTe and Bi4Te3 Locality: synthetic Note: anisoB's from ICSD,
    Acta Crystallographica, Section B 35, 147 (1979)

Band structure with spin-orbit coupling