• Formula : FeNi3
  • Space Group : Pm-3m (221)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 3.545
    b = 3.545
    c = 3.545
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 38
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.765
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Awaruite, iridian awaruite, and a new Ru-Os-Ir-Ni-Fe alloy from the Sakhakot-Qila complex, Malakand-Agency, Pakistan Locality: Sakhakot-Qila complex, Malakand-Agency, Pakistan,
    Mineralogical Magazine 44, 225 (1981)

Band structure with spin-orbit coupling