• Formula : InSb2S4Br
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 20.177
    b = 3.867
    c = 11.66
    α = 90.0
    β = 119.13
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 108
  • Band gap = 1.4395 eV
    Direct Gap = 1.453 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 159467

Band structure with spin-orbit coupling