• Formula : Ba2YIrO6
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.9028
    b = 5.9029
    c = 8.351
    α = 90.0
    β = 90.039
    γ = 90.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 84
  • Band gap = 0.0 eV
    Direct Gap = 0.337 eV
    Metallicity = 0.384
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 88155

Band structure with spin-orbit coupling