• Formula : SiIr
  • Space Group : Pnma (62)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.558
    b = 3.211
    c = 6.273
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 84
  • Band gap = 0.0 eV
    Direct Gap = 0.002 eV
    Metallicity = 0.353
    Topological Z2 indices ν = (0;011)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystal structures of the monosilicides of osmium, iridium and ruthenium,
    Journal of Physical Chemistry 61, 1541 (1957)

Band structure with spin-orbit coupling