• Formula : FeO
  • Space Group : Fm-3m (225)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.303
    b = 4.303
    c = 4.303
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 2
    Total number of electrons per primitive cell = 14
  • Band gap = 0.0 eV
    Direct Gap = 0.073 eV
    Metallicity = 0.319
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Herstellung und Kristallstruktur von Ferrooxyd (Fe O).,
    Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 63, 144 (1926)

Band structure with spin-orbit coupling