• Formula : Ba4Na(SbO4)3
  • Space Group : Im-3m (229)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 8.2785
    b = 8.2785
    c = 8.2785
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 136
  • Band gap = 1.8829 eV
    Direct Gap = 1.962 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Structure of Ba~4~NaSb~3~O~12~ by neutron powder diffraction,
    Acta Crystallographica Section C 49, 1585 (1993)

Band structure with spin-orbit coupling