• Formula : S2NO
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 4.2015
    b = 7.8352
    c = 10.3756
    α = 108.808
    β = 92.753
    γ = 102.933
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 92
  • Band gap = 2.1152 eV
    Direct Gap = 2.481 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 410547

Band structure with spin-orbit coupling