• Formula : K3(NiO2)2
  • Space Group : Cmcm (63)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.04
    b = 9.04
    c = 10.56
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 142
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.748
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Oxide eines neuen Formeltyps: Zur Kenntnis von K3 Ni2 O4 und K3 Pt2 O4,
    Zeitschrift fuer Anorganische und Allgemeine Chemie 462, 92 (1980)

Band structure with spin-orbit coupling