• Formula : FePt3
  • Space Group : Pm-3m (221)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 3.864
    b = 3.864
    c = 3.864
    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 = 0.892
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Platinum-iron alloys: a nomenclature based on a study of natural and synthetic alloys Locality: Tulameen River, British Columbia, Canada,
    The Canadian Mineralogist 13, 117 (1975)

Band structure with spin-orbit coupling