• Formula : NO2
  • Space Group : P2_1/m (11)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 5.325
    b = 5.054
    c = 6.511
    α = 90.0
    β = 132.6
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 68
  • Band gap = 1.4082 eV
    Direct Gap = 1.460 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 164631

Band structure with spin-orbit coupling