• Formula : AlPS4
  • Space Group : P4_2mc (105)
    Centrosymmetric : False
    Dimensionality : 2D
  • Structure parameters
    a = 5.64
    b = 5.64
    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 = 0.0 eV
    Direct Gap = 0.003 eV
    Metallicity = 0.875
    Topological Z2 indices ν = ?
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 56821

Band structure with spin-orbit coupling