• Formula : CaP3
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 5.59
    b = 5.618
    c = 5.665
    α = 69.96
    β = 79.49
    γ = 74.78
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 50
  • Band gap = 0.0 eV
    Direct Gap = 0.016 eV
    Metallicity = 0.024
    Topological Z2 indices ν = (1;010)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 74479

Band structure with spin-orbit coupling