• Formula : VCoB3
  • Space Group : Cmcm (63)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 3.04
    b = 17.55
    c = 2.98
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 78
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.647
    Topological Z2 indices ν = (0;110)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The systems V-Fe-B, V-Co-B, and V-Ni-B,
    Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy 9, 337 (1973)

Band structure with spin-orbit coupling