• Formula : NaNb3O8
  • Space Group : Pmmn (59)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 8.771
    b = 10.16
    c = 3.784
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 192
  • Band gap = 3.1021 eV
    Direct Gap = 3.402 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The sodium niobate Na Nb3 O8: A novel lamellar oxide synthesized by soft chemistry,
    Journal of Solid State Chemistry 71, 182 (1987)

Band structure with spin-orbit coupling