• Formula : Ga3Ir
  • Space Group : P4_2/mnm (136)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.41
    b = 6.41
    c = 6.6
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 224
  • Band gap = 0.0 eV
    Direct Gap = 0.050 eV
    Metallicity = 0.179
    Topological Z2 indices ν = (1;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 634441

Band structure with spin-orbit coupling