• Formula : Tl2GeS3
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 6.717
    b = 6.749
    c = 8.448
    α = 90.28
    β = 111.47
    γ = 113.21
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 96
  • Band gap = 1.5977 eV
    Direct Gap = 1.697 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 2240

Band structure with spin-orbit coupling