• Formula : Bi4I
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 25.948
    b = 4.354
    c = 13.259
    α = 90.0
    β = 104.48
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 108
  • Band gap = 0.0 eV
    Direct Gap = 0.059 eV
    Metallicity = 0.855
    Topological Z2 indices ν = (1;001)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 246145

Band structure with spin-orbit coupling