• Formula : Bi2Ir
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.9011
    b = 6.7885
    c = 6.9617
    α = 90.0
    β = 116.454
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 76
  • Band gap = 0.0 eV
    Direct Gap = 0.208 eV
    Metallicity = 0.075
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 424397

Band structure with spin-orbit coupling