• Formula : Ca(SbO3)2
  • Space Group : P-31m (162)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 5.2405
    b = 5.2405
    c = 5.0221
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 9
    Total number of electrons per primitive cell = 56
  • Band gap = 3.3652 eV
    Direct Gap = 3.658 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    X-ray Rietveld structure refinement of Ca, Sr and Ba <i>meta</i>-antimonates,
    Acta Crystallographica Section C 50, 476 (1994)

Band structure with spin-orbit coupling