• Formula : NaNbO3
  • Space Group : R3c (161)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 7.8147
    b = 7.8147
    c = 7.8147
    α = 89.17
    β = 89.17
    γ = 89.17
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 80
  • Band gap = 3.0821 eV
    Direct Gap = 3.082 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 9645

Band structure with spin-orbit coupling