• Formula : N2
  • Space Group : Pmna (53)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 8.93
    b = 8.642
    c = 3.8
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 80
  • Band gap = 0.0 eV
    Direct Gap = 0.002 eV
    Metallicity = 0.369
    Topological Z2 indices ν = (1;100)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The Crystal Structure of Ammonium Azide, N H4 N3 _cod_database_code 1010271,
    Zeitschrift fur Kristallographie 94, 197 (1936)

Band structure with spin-orbit coupling