• Formula : Tl2ZnI4
  • Space Group : P2_1 (4)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 7.661
    b = 7.971
    c = 10.074
    α = 90.0
    β = 118.39
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 132
  • Band gap = 2.233 eV
    Direct Gap = 2.334 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 37099

Band structure with spin-orbit coupling