• Formula : K3SbO4
  • Space Group : P2/c (13)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.7971
    b = 6.5933
    c = 5.4179
    α = 90.0
    β = 109.394
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 112
  • Band gap = 2.5564 eV
    Direct Gap = 2.613 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Potassium oxoantimonate(V), K~3~[SbO~4~],
    Acta Crystallographica Section C 57, 1239 (2001)

Band structure with spin-orbit coupling