• Formula : Zn13Fe
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 13.394
    b = 7.598
    c = 5.066
    α = 90.0
    β = 127.23
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 164
  • Band gap = 0.0 eV
    Direct Gap = 0.019 eV
    Metallicity = 0.582
    Topological Z2 indices ν = (0;111)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Redetermination of the iron--zinc phase FeZn~13~,
    Acta Crystallographica Section C 56, 267 (2000)

Band structure with spin-orbit coupling