• Formula : NaBiO3
  • Space Group : R-3 (148)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 5.5672
    b = 5.5672
    c = 15.989
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 84
  • Band gap = 1.4476 eV
    Direct Gap = 1.542 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Neutron powder diffraction refinement of ilmenite-type bismuth oxides: A Bi O3 (A = Na, Ag),
    Materials Research Bulletin 35, 2397 (2000)

Band structure with spin-orbit coupling