• Formula : CdSb6(S2I)4
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 8.862
    b = 8.913
    c = 9.487
    α = 133.61
    β = 86.28
    γ = 89.11
  • Number of atoms per primitive cell = 19
    Total number of electrons per primitive cell = 118
  • Band gap = 1.4312 eV
    Direct Gap = 1.431 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 27733

Band structure with spin-orbit coupling