• Formula : SrIr2
  • Space Group : Fd-3m (227)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 7.849
    b = 7.849
    c = 7.849
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 88
  • Band gap = 0.0 eV
    Direct Gap = 0.012 eV
    Metallicity = 0.416
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    A5 B-Phasen von Typ Cu5 Ca und Lavesphasen in den Systemen des Strontiums mit Pd, Pt, Rh und Ir,
    Zeitschrift fuer Anorganische und Allgemeine Chemie 290, 191 (1957)

Band structure with spin-orbit coupling