• Formula : YCo3
  • Space Group : R-3m (166)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.02
    b = 5.02
    c = 24.4
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 186
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.799
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The structures of Y Ni3, Y Co3, Th Fe3 and Gd Fe3,
    Acta Crystallographica (1,1948-23,1967) 19, 1019 (1965)

Band structure with spin-orbit coupling