• Formula : CsVP2S7
  • Space Group : C2 (5)
    Centrosymmetric : False
    Dimensionality : 2D
  • Structure parameters
    a = 8.601
    b = 9.5176
    c = 6.7287
    α = 90.0
    β = 98.17
    γ = 90.0
  • Number of atoms per primitive cell = 11
    Total number of electrons per primitive cell = 74
  • Band gap = 0.0 eV
    Direct Gap = 0.007 eV
    Metallicity = 0.762
    Topological Z2 indices ν = ?
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    CsVP~2~S~7~,
    Acta Crystallographica Section E 61, i6 (2005)

Band structure with spin-orbit coupling