• Formula : NbTlBr4O
  • Space Group : C2 (5)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 13.049
    b = 4.027
    c = 7.706
    α = 90.0
    β = 108.15
    γ = 90.0
  • Number of atoms per primitive cell = 7
    Total number of electrons per primitive cell = 60
  • Band gap = 1.1356 eV
    Direct Gap = 1.469 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 415203

Band structure with spin-orbit coupling