• Formula : CsSbO2
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 8.1023
    b = 9.7724
    c = 5.5763
    α = 90.0
    β = 121.9
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 52
  • Band gap = 2.476 eV
    Direct Gap = 2.493 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Caesium Dioxoantimonate(III), CsSbO~2~,
    Acta Crystallographica Section C 54, 1219 (1998)

Band structure with spin-orbit coupling