• Formula : YIr2
  • Space Group : Fd-3m (227)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 7.524
    b = 7.524
    c = 7.524
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 90
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.298
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Factors controlling the occurence of Laves phases and A B5 compounds among transition elements,
    Transactions of the American Society for Metals 53, 479 (1961)

Band structure with spin-orbit coupling