• Formula : Fe2N
  • Space Group : Pcnb (60)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.523
    b = 4.83
    c = 4.425
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 84
  • Band gap = 0.0 eV
    Direct Gap = 0.001 eV
    Metallicity = 0.653
    Topological Z2 indices ν = (0;101)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 150889

Band structure with spin-orbit coupling