• Formula : Cs2Al2P2O9
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 4.925
    b = 7.121
    c = 8.066
    α = 96.51
    β = 107.12
    γ = 108.68
  • Number of atoms per primitive cell = 15
    Total number of electrons per primitive cell = 88
  • Band gap = 5.2554 eV
    Direct Gap = 5.386 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 280275

Band structure with spin-orbit coupling