• Formula : Al2CuIr
  • Space Group : Cmme (67)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 8.1196
    b = 5.0646
    c = 5.18513
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 68
  • Band gap = 0.0 eV
    Direct Gap = 0.032 eV
    Metallicity = 0.244
    Topological Z2 indices ν = (1;001)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 167666

Band structure with spin-orbit coupling