• Formula : KNbO3
  • Space Group : R3m (160)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 4.016
    b = 4.016
    c = 4.016
    α = 89.817
    β = 89.817
    γ = 89.817
  • Number of atoms per primitive cell = 5
    Total number of electrons per primitive cell = 40
  • Band gap = 2.4592 eV
    Direct Gap = 3.318 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 9534

Band structure with spin-orbit coupling