• Formula : ZrTl2PbS4
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 15.455
    b = 8.214
    c = 6.7513
    α = 90.0
    β = 109.093
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 136
  • Band gap = 0.5808 eV
    Direct Gap = 1.368 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 237507

Band structure with spin-orbit coupling