• Formula : Sb2O3
  • Space Group : Pccn (56)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 4.92
    b = 12.46
    c = 5.42
    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 = 1.400 eV
    Metallicity = 1.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystal structure of valentinite,
    American Mineralogist 21, 206 (1936)

Band structure with spin-orbit coupling