• Formula : Ca3Mn2O7
  • Space Group : Cmcm (63)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 19.37
    b = 5.27
    c = 5.27
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 204
  • Band gap = 0.0 eV
    Direct Gap = 0.003 eV
    Metallicity = 0.614
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    TEM study of the electron-doped layered La2-2x Ca1+2x Mn2 O7: orthorhombic phase in the 0.8 < x < 1.0 composition range,
    Journal of Solid State Chemistry 157, 309 (2001)

Band structure with spin-orbit coupling