• Formula : BaVS3
  • Space Group : Cm (8)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 11.456
    b = 6.764
    c = 11.188
    α = 90.0
    β = 90.048
    γ = 90.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 82
  • Band gap = 0.0 eV
    Direct Gap = 0.002 eV
    Metallicity = 0.581
    Topological Z2 indices ν = ?
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 154184

Band structure with spin-orbit coupling