• Formula : AsPbF7
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 4.661
    b = 7.237
    c = 7.474
    α = 105.93
    β = 101.49
    γ = 90.66
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 136
  • Band gap = 4.6514 eV
    Direct Gap = 4.679 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 411788

Band structure with spin-orbit coupling