• Formula : N2
  • Space Group : Pa3 (205)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 5.644
    b = 5.644
    c = 5.644
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 40
  • Band gap = 7.8876 eV
    Direct Gap = 7.909 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Second edition. Interscience Publishers, New York, New York Sample at T = 4.2 K,
    Crystal Structures 1, 7 (1963)

Band structure with spin-orbit coupling