• Formula : Ba3(Ge4Ir)4
  • Space Group : I4/mmm (139)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.53948
    b = 6.53948
    c = 22.2849
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 23
    Total number of electrons per primitive cell = 162
  • Band gap = 0.0 eV
    Direct Gap = 0.014 eV
    Metallicity = 0.563
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 189363

Band structure with spin-orbit coupling