• Formula : P3N5
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 8.12077
    b = 5.83433
    c = 9.16005
    α = 90.0
    β = 115.809
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 80
  • Band gap = 3.7067 eV
    Direct Gap = 4.005 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 56876

Band structure with spin-orbit coupling