• Formula : Cs2Na2IrO4
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 11.9249
    b = 5.9082
    c = 9.6037
    α = 90.0
    β = 104.27
    γ = 90.0
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 154
  • Band gap = 0.0 eV
    Direct Gap = 0.019 eV
    Metallicity = 0.258
    Topological Z2 indices ν = (0;110)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 71624

Band structure with spin-orbit coupling