• Formula : Sb2O3
  • Space Group : Fd-3m (227)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 11.1
    b = 11.1
    c = 11.1
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 112
  • Band gap = 0.0 eV
    Direct Gap = 3.145 eV
    Metallicity = 1.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    About the structure of the cubic modification of Sb2O3 Locality: synthetic Note: y(O) and z(O) corrected,
    Soviet Journal of Coordination Chemistry 1, 1186 (1975)

Band structure with spin-orbit coupling