• Formula : NaNbO3
  • Space Group : R3c (161)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 5.5647
    b = 5.5647
    c = 5.5647
    α = 59.11
    β = 59.11
    γ = 59.11
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 80
  • Band gap = 3.6866 eV
    Direct Gap = 3.714 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 28152

Band structure with spin-orbit coupling