• Formula : Li2VSiO5
  • Space Group : P4/nmm (129)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 6.355
    b = 6.355
    c = 4.449
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 106
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.927
    Topological Z2 indices ν = (0;001)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Li~2~VOSiO~4~: a Natisite-Type Structure,
    Acta Crystallographica Section C 54, 176 (1998)

Band structure with spin-orbit coupling