• Formula : Bi(TeBr2)2
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 7.26
    b = 7.737
    c = 9.018
    α = 92.95
    β = 102.23
    γ = 92.87
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 110
  • Band gap = 1.0464 eV
    Direct Gap = 1.099 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 83806

Band structure with spin-orbit coupling