• Formula : Na2CN2
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 5.0475
    b = 5.001
    c = 5.5354
    α = 90.0
    β = 110.083
    γ = 90.0
  • Number of atoms per primitive cell = 5
    Total number of electrons per primitive cell = 32
  • Band gap = 3.074 eV
    Direct Gap = 3.258 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 411341

Band structure with spin-orbit coupling