• Formula : Na2IrO3
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 5.427
    b = 9.395
    c = 5.614
    α = 90.0
    β = 109.037
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 106
  • Band gap = 0.0175 eV
    Direct Gap = 0.055 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 187130

Band structure with spin-orbit coupling