• Formula : GaPS4
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 8.603
    b = 7.778
    c = 11.858
    α = 90.0
    β = 135.46
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 168
  • Band gap = 2.1386 eV
    Direct Gap = 2.139 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 2613

Band structure with spin-orbit coupling