• Formula : V4As3
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 13.7251
    b = 3.3928
    c = 9.2297
    α = 90.0
    β = 100.521
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 134
  • Band gap = 0.0 eV
    Direct Gap = 0.006 eV
    Metallicity = 0.806
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The structure of a high-temperature polymorph of V4 As3,
    Acta Chemica Scandinavica, Series A: (28,1974-) 28, 771 (1974)

Band structure with spin-orbit coupling