• Formula : SeO2
  • Space Group : P4_2/mbc (135)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 8.3218
    b = 8.3218
    c = 5.0541
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 144
  • Band gap = 3.5975 eV
    Direct Gap = 3.921 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 SeO2 at 139 and 286 K Note: T = 139 K Locality: synthetic,
    Zeitschrift fur Kristallographie 202, 99 (1992)

Band structure with spin-orbit coupling