• Formula : Ba2VN3
  • Space Group : Cmce (64)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 5.8614
    b = 11.4682
    c = 12.9121
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 192
  • Band gap = 0.8948 eV
    Direct Gap = 0.895 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 80177

Band structure with spin-orbit coupling