• Formula : NaSbO3
  • Space Group : Pnma (62)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.43835
    b = 7.66195
    c = 5.38201
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 128
  • Band gap = 1.567 eV
    Direct Gap = 1.567 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Polymorphism in Na Sb O3: structure and bonding in metal oxides,
    Journal of the American Chemical Society 126, 3175 (2004)

Band structure with spin-orbit coupling