• Formula : K2Ca(NO2)4
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 9.4466
    b = 5.454
    c = 10.908
    α = 90.0
    β = 88.57
    γ = 90.0
  • Number of atoms per primitive cell = 15
    Total number of electrons per primitive cell = 96
  • Band gap = 0.0 eV
    Direct Gap = 0.009 eV
    Metallicity = 0.648
    Topological Z2 indices ν = (1;001)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 85505

Band structure with spin-orbit coupling