• Formula : Cr3Ir
  • Space Group : Pm-3n (223)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.668
    b = 4.668
    c = 4.668
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 118
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.673
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Die Legierungen des Chroms mit Platin, Iridium und Ruthenium,
    Zeitschrift fuer Metallkunde 46, 210 (1955)

Band structure with spin-orbit coupling