• Formula : KPbO2
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 12.9594
    b = 7.5335
    c = 6.9712
    α = 118.0
    β = 106.15
    γ = 93.44
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 140
  • Band gap = 0.9519 eV
    Direct Gap = 1.102 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 65501

Band structure with spin-orbit coupling