• Formula : K3GaO3
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 7.09
    b = 11.11
    c = 6.48
    α = 90.0
    β = 101.6
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 116
  • Band gap = 2.7722 eV
    Direct Gap = 2.772 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 2269

Band structure with spin-orbit coupling