• Formula : CdBiSe2I
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 13.659
    b = 4.192
    c = 10.193
    α = 90.0
    β = 90.88
    γ = 90.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 92
  • Band gap = 0.9676 eV
    Direct Gap = 1.041 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 171727

Band structure with spin-orbit coupling