• Formula : SbN9
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 6.6694
    b = 6.9045
    c = 7.0314
    α = 83.651
    β = 65.85
    γ = 83.595
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 100
  • Band gap = 2.5331 eV
    Direct Gap = 2.586 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Syntheses and Structures of Triazides of Heavy Group 15 Elements,
    Chem.Commun. 47, 3401 (2011)

Band structure with spin-orbit coupling