• Formula : Y3IrI3
  • Space Group : P2_1/m (11)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 8.6929
    b = 4.2388
    c = 12.092
    α = 90.0
    β = 94.73
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 142
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.410
    Topological Z2 indices ν = (1;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 71524

Band structure with spin-orbit coupling