• Formula : FeN
  • Space Group : P6_3/mmc (194)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 2.757
    b = 2.757
    c = 4.428
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 26
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.679
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Structure and Magnetic Properties of Mechanically Ground epsilon- Fe2.3 N,
    Japanese Journal of Applied Physics, Part 1 33, 6539 (1994)

Band structure with spin-orbit coupling