• Formula : K4(NiO2)3
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 8.9953
    b = 6.1024
    c = 7.7875
    α = 90.0
    β = 91.665
    γ = 90.0
  • Number of atoms per primitive cell = 13
    Total number of electrons per primitive cell = 102
  • Band gap = 0.0 eV
    Direct Gap = 0.043 eV
    Metallicity = 0.054
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 426450

Band structure with spin-orbit coupling