• Formula : VSb2
  • Space Group : I4/mcm (140)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.5538
    b = 6.5538
    c = 5.6366
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 46
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.536
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Refinement of the crystal structures of titanium diantimonide, TiSb~2~, and vanadium diantimonide, V~0.96~Sb~2~,
    Zeitschrift f\"ur Kristallographie - New Crystal Structures 219, 209 (2004)

Band structure with spin-orbit coupling