• Formula : Ir
  • Space Group : Pmma (51)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 5.687
    b = 15.168
    c = 12.909
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 2
    Total number of electrons per primitive cell = 34
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.997
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 201258

Band structure with spin-orbit coupling