• Formula : SeN
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 9.65
    b = 9.73
    c = 6.47
    α = 90.0
    β = 104.9
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 88
  • Band gap = 1.9008 eV
    Direct Gap = 1.974 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Die Kristallstruktur von Tetrastickstofftetraselenid N4 Se4,
    Acta Crystallographica (1,1948-23,1967) 21, 571 (1966)

Band structure with spin-orbit coupling