• Formula : CdPS3
  • Space Group : R3 (146)
    Centrosymmetric : False
    Dimensionality : Unknown
  • Structure parameters
    a = 6.224
    b = 6.224
    c = 19.49
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 70
  • Band gap = 1.8394 eV
    Direct Gap = 2.251 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 80875

Band structure with spin-orbit coupling