• Formula : K3FeO2
  • Space Group : P4_12_12 (92)
    Centrosymmetric : False
    Dimensionality : 2D
  • Structure parameters
    a = 6.041
    b = 6.041
    c = 14.068
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 188
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.445
    Topological Z2 indices ν = ?
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Das erste oxoferrat(I): zur konstitution von K3[FeO2] und K3[NiO2],
    Zeitschrift fur Anorganische und Allgemeine Chemie 619, 969 (1993)

Band structure with spin-orbit coupling