• Formula : B2S2O9
  • Space Group : C2 (5)
    Centrosymmetric : False
    Dimensionality : 2D
  • Structure parameters
    a = 7.76
    b = 4.1664
    c = 8.6134
    α = 90.0
    β = 94.785
    γ = 90.0
  • Number of atoms per primitive cell = 13
    Total number of electrons per primitive cell = 72
  • Band gap = 7.109 eV
    Direct Gap = 7.305 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 426544

Band structure with spin-orbit coupling