• Formula : SnIr
  • Space Group : P6_3/mmc (194)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 3.98
    b = 3.98
    c = 5.556
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 62
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.902
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Zur Kenntnis des Aufbaus und der Kristallchemie einiger Edel- metallsysteme (Pd-Pb, Pd-Sn, Ir-Sn, Rh-Sn, Pt-Pb),
    Zeitschrift fuer Metallkunde 37, 137 (1946)

Band structure with spin-orbit coupling