• Formula : Na3Cd2IrO6
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 5.663
    b = 9.783
    c = 5.689
    α = 90.0
    β = 109.95
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 104
  • Band gap = 0.2796 eV
    Direct Gap = 0.306 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Zur Kristallchemie eines Natrium-Cadmium-Oxoiridats: Na3 Cd2 Ir O6,
    Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) 51, 822 (1996)

Band structure with spin-orbit coupling