• Formula : V2B3
  • Space Group : Cmcm (63)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 3.0599
    b = 18.429
    c = 2.9839
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 70
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.911
    Topological Z2 indices ν = (0;110)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    A structural investigation of V2 B3 by single-crystal diffractometry,
    Journal of Alloys Compd. 221, 86 (1995)

Band structure with spin-orbit coupling