• Formula : As2Ir
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.0549
    b = 6.0717
    c = 6.1587
    α = 90.0
    β = 113.197
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 108
  • Band gap = 0.92 eV
    Direct Gap = 0.945 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    On the properties of binary compounds with the CoSb2 type crystal structure Locality: synthetic,
    Acta Chemica Scandinavica 25, 411 (1971)

Band structure with spin-orbit coupling