• Formula : TlSbF6
  • Space Group : R-3m (166)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 5.15
    b = 5.15
    c = 5.15
    α = 96.0
    β = 96.0
    γ = 96.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 60
  • Band gap = 2.3033 eV
    Direct Gap = 2.565 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 36264

Band structure with spin-orbit coupling