• Formula : VAg(PS3)2
  • Space Group : P2/c (13)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 5.921
    b = 10.684
    c = 6.755
    α = 90.0
    β = 106.62
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 140
  • Band gap = 0.0 eV
    Direct Gap = 0.006 eV
    Metallicity = 0.301
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 202045

Band structure with spin-orbit coupling