• Formula : K2NaFeO3
  • Space Group : Cmme (67)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 11.012
    b = 6.197
    c = 6.706
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 106
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.516
    Topological Z2 indices ν = (0;110)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 36380

Band structure with spin-orbit coupling