• Formula : O2
  • Space Group : Fmmm (69)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 4.2151
    b = 2.9567
    c = 6.6897
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 2
    Total number of electrons per primitive cell = 12
  • Band gap = 0.0 eV
    Direct Gap = 0.030 eV
    Metallicity = 0.606
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 37059

Band structure with spin-orbit coupling