• Formula : KC4N3
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 8.665
    b = 8.873
    c = 3.89
    α = 86.7
    β = 90.1
    γ = 105.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 80
  • Band gap = 2.5789 eV
    Direct Gap = 2.580 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 77046

Band structure with spin-orbit coupling