• Formula : KP(HO2)2
  • Space Group : C222_1 (20)
    Centrosymmetric : False
    Dimensionality : 2D
  • Structure parameters
    a = 5.428
    b = 12.669
    c = 4.501
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 80
  • Band gap = 6.4968 eV
    Direct Gap = 6.643 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 186817

Band structure with spin-orbit coupling