• Formula : Sn4Ir
  • Space Group : I4_1/acd (142)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.3096
    b = 6.3096
    c = 22.77
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 292
  • Band gap = 0.0 eV
    Direct Gap = 0.003 eV
    Metallicity = 0.491
    Topological Z2 indices ν = (1;111)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 412573

Band structure with spin-orbit coupling