• Formula : Tl2Te3O7
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.839
    b = 7.432
    c = 9.92
    α = 92.0
    β = 108.95
    γ = 112.85
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 172
  • Band gap = 2.6719 eV
    Direct Gap = 2.721 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 150779

Band structure with spin-orbit coupling