• Formula : InBi2S4Cl
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 12.383
    b = 3.899
    c = 8.514
    α = 90.0
    β = 115.3
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 74
  • Band gap = 1.5901 eV
    Direct Gap = 1.742 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 484

Band structure with spin-orbit coupling