• Formula : MoIr
  • Space Group : Pmma (51)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.429
    b = 2.752
    c = 4.804
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 62
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.817
    Topological Z2 indices ν = (0;001)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Ordered A B and A B3 phases in T6-T9 alloy systems and a modified Mo-Ir phase-diagram,
    Journal of the Less-Common Metals 10, 147 (1966)

Band structure with spin-orbit coupling