• Formula : LiSbO3
  • Space Group : Pnna (52)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.9005
    b = 8.4892
    c = 5.1816
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 104
  • Band gap = 2.5446 eV
    Direct Gap = 2.545 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Li+ / H+ topotactic exchange on Li Sb O3: The series Li(1-x) Hx Sb O3 (0<=x<=1).,
    Materials Research Bulletin 24, 1207 (1989)

Band structure with spin-orbit coupling