• Formula : Ca3(GaP2)2
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 12.623
    b = 9.87
    c = 6.4435
    α = 90.0
    β = 91.05
    γ = 90.0
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 152
  • Band gap = 1.0033 eV
    Direct Gap = 1.112 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 423781

Band structure with spin-orbit coupling