• Formula : Li5SbO5
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 9.724
    b = 3.984
    c = 5.792
    α = 90.0
    β = 109.04
    γ = 90.0
  • Number of atoms per primitive cell = 11
    Total number of electrons per primitive cell = 50
  • Band gap = 3.4302 eV
    Direct Gap = 3.733 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The Structures of Li5 Bi O5 and Li5 Sb O5 From Powder Neutron Diffraction,
    Materials Research Bulletin 24, 973 (1989)

Band structure with spin-orbit coupling