• Formula : Tl3Cd2I7
  • Space Group : Pbam (55)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 14.871
    b = 13.733
    c = 4.537
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 224
  • Band gap = 1.5368 eV
    Direct Gap = 1.678 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 63340

Band structure with spin-orbit coupling