• Formula : SO3
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 6.2
    b = 4.06
    c = 9.31
    α = 90.0
    β = 109.83
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 96
  • Band gap = 5.8568 eV
    Direct Gap = 5.878 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystal structure of the asbestos-like form of sulphur trioxide,
    Acta Crystallographica 7, 764 (1954)

Band structure with spin-orbit coupling