• Formula : Sb2O5
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 12.646
    b = 4.782
    c = 5.4247
    α = 90.0
    β = 103.91
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 80
  • Band gap = 0.9086 eV
    Direct Gap = 0.925 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Die kristallstruktur von antimon(V)-oxid,
    Acta Crystallographica, Section B 35, 539 (1979)

Band structure with spin-orbit coupling