• Formula : Li3SbO4
  • Space Group : P2/c (13)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 5.1456
    b = 6.0794
    c = 5.1291
    α = 90.0
    β = 108.859
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 76
  • Band gap = 3.4604 eV
    Direct Gap = 3.474 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    A comparison of the X-ray single-crystal structure of Li~3~SbO~4~ with the Rietveld refinement,
    Acta Crystallographica Section C 57, 883 (2001)

Band structure with spin-orbit coupling