• Formula : YB2Ir3
  • Space Group : Cmmm (65)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.432
    b = 9.398
    c = 3.099
    α = 90.0
    β = 90.38
    γ = 90.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 68
  • Band gap = 0.0 eV
    Direct Gap = 0.015 eV
    Metallicity = 0.380
    Topological Z2 indices ν = (1;001)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Structural investigation of the ternary R M3 B2 compounds,
    Journal of Alloys Compd. 373, 202 (2004)

Band structure with spin-orbit coupling