• Formula : NaP4N7
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 12.3345
    b = 8.523
    c = 5.1396
    α = 90.0
    β = 102.572
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 128
  • Band gap = 3.9679 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: 410629

Band structure with spin-orbit coupling