• Formula : V2NiSe4
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 6.142
    b = 3.437
    c = 11.55
    α = 90.0
    β = 91.5
    γ = 90.0
  • Number of atoms per primitive cell = 7
    Total number of electrons per primitive cell = 60
  • Band gap = 0.0 eV
    Direct Gap = 0.013 eV
    Metallicity = 0.440
    Topological Z2 indices ν = (1;111)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Structure and Properties of Nickel Vanadium Selenide, Ni V~2~ Ye~4~,
    Inorganic Chemistry 5, 977 (1966)

Band structure with spin-orbit coupling