• Formula : Sb3Ir
  • Space Group : Im3 (204)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 9.2495
    b = 9.2495
    c = 9.2495
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 128
  • Band gap = 0.0978 eV
    Direct Gap = 0.098 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystal structure of Ir As3 and Ir Sb3,
    Acta Crystallographica (1,1948-23,1967) 14, 1065 (1961)

Band structure with spin-orbit coupling