• Formula : AlPS4
  • Space Group : P222 (16)
    Centrosymmetric : False
    Dimensionality : 2D
  • Structure parameters
    a = 5.61
    b = 5.67
    c = 9.05
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 64
  • Band gap = 1.5836 eV
    Direct Gap = 1.670 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 15910

Band structure with spin-orbit coupling