• Formula : Mg2CuB2Ir5
  • Space Group : P4/mbm (127)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 9.25
    b = 9.25
    c = 2.899
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 244
  • Band gap = 0.0 eV
    Direct Gap = 0.006 eV
    Metallicity = 0.884
    Topological Z2 indices ν = (1;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 613589

Band structure with spin-orbit coupling