• Formula : CdClO
  • Space Group : P6_3mc (186)
    Centrosymmetric : False
    Dimensionality : 2D
  • Structure parameters
    a = 3.66
    b = 3.66
    c = 10.27
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 50
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.749
    Topological Z2 indices ν = ?
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The Crystal Structure of Cadmium Hydroxychloride, Cd O H Cl _cod_database_code 1010263,
    Zeitschrift fur Kristallographie 87, 110 (1934)

Band structure with spin-orbit coupling