• Formula : Cd3(ClO)2
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.3816
    b = 6.6916
    c = 6.6651
    α = 90.0
    β = 115.92
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 124
  • Band gap = 1.2957 eV
    Direct Gap = 1.430 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 300028

Band structure with spin-orbit coupling