• Formula : Ca2Fe9O13
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 10.022
    b = 3.047
    c = 16.877
    α = 90.0
    β = 99.2
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 170
  • Band gap = 0.0 eV
    Direct Gap = 0.006 eV
    Metallicity = 0.586
    Topological Z2 indices ν = (1;111)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Preparation et caracterisation des ferrites de calcium Ca Fe2+n O4+n a valeurs fractionnaires de n (3/2, 5/2) et leur incidence sur le diagramme Fe-Ca-O a 1120 C,
    Materials Research Bulletin 16, 1139 (1981)

Band structure with spin-orbit coupling