• Formula : Y4Ga12Fe
  • Space Group : Im-3m (229)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 8.5683
    b = 8.5683
    c = 8.5683
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 17
    Total number of electrons per primitive cell = 208
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.669
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Isolation of the New Cubic Phases RE4FeGa12-xGex (RE = Sm, Tb; x= 2.5) from Molten Gallium: Single-Crystal Neutron Diffraction Study of the Ga/Ge Distribution,
    Inorganic Chemistry 41, 6056 (2002)

Band structure with spin-orbit coupling