• Formula : LiVS2
  • Space Group : P-3m1 (164)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 3.3803
    b = 3.3803
    c = 6.1381
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 28
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.446
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Preparation, crystal structure, and magnetic structure of Li Cr S2 and Li V S2,
    Journal of Solid State Chemistry 3, 590 (1971)

Band structure with spin-orbit coupling