• Formula : YCo3B2
  • Space Group : P6/mmm (191)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.051
    b = 5.051
    c = 3.035
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 68
  • Band gap = 0.0 eV
    Direct Gap = 0.001 eV
    Metallicity = 0.504
    Topological Z2 indices ν = (1;001)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Magnetic susceptibility of R Co3 B2 (R= Y, Sm, Gd, and Dy),
    Journal of Applied Physics 75, 7140 (1994)

Band structure with spin-orbit coupling