• Formula : YMn4(CuO4)3
  • Space Group : Im3 (204)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 7.275
    b = 7.275
    c = 7.275
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 176
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.657
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Synthesis, composition-ranqe and crystal structure of the Perovskite- like ferrimagnet Y Cu~3~ Mn~4~ O~12~,
    Journal of Magnetism and Magnetic Materials 40, 75 (1983)

Band structure with spin-orbit coupling