• Formula : VAuS2
  • Space Group : P6_3/mmc (194)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 3.195
    b = 3.195
    c = 14.919
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 72
  • Band gap = 0.0 eV
    Direct Gap = 0.553 eV
    Metallicity = 0.073
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Structural, transport and electronic properties of a layered dichalcogenide Au V S2 with semimetallic properties,
    Physical Review, Serie 3. B - Condensed Matter (18,1978-) 66, 085106-1 (2002)

Band structure with spin-orbit coupling