• Formula : V5SiB2
  • Space Group : I4/mcm (140)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.81
    b = 5.81
    c = 10.79
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 150
  • Band gap = 0.0 eV
    Direct Gap = 0.001 eV
    Metallicity = 0.686
    Topological Z2 indices ν = (1;100)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Untersuchungenin den Systemen : V-B, Nb-B, V-B-Si und Ta-B-Si,
    Monatshefte fuer Chemie (-108,1977) 88, 1048 (1958)

Band structure with spin-orbit coupling