• Formula : NaN3
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 6.285
    b = 3.6436
    c = 5.4379
    α = 90.0
    β = 111.396
    γ = 90.0
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 24
  • Band gap = 0.0 eV
    Direct Gap = 0.008 eV
    Metallicity = 0.483
    Topological Z2 indices ν = (0;110)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 29383

Band structure with spin-orbit coupling