• Formula : V3As2
  • Space Group : P4/m (83)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 9.4128
    b = 9.4128
    c = 3.3361
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 196
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.706
    Topological Z2 indices ν = (1;110)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystal structure of V3 As2,
    Acta Chemica Scandinavica, Series A: (28,1974-) 31, 287 (1977)

Band structure with spin-orbit coupling