• Formula : Fe(BO2)2
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 9.4995
    b = 5.6285
    c = 4.4366
    α = 90.0
    β = 108.5
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 76
  • Band gap = 0.3192 eV
    Direct Gap = 0.368 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 420403

Band structure with spin-orbit coupling