• Formula : YP5
  • Space Group : P2_1/m (11)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 4.911
    b = 9.384
    c = 5.344
    α = 90.0
    β = 102.5
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 72
  • Band gap = 0.0 eV
    Direct Gap = 0.731 eV
    Metallicity = 0.053
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 409188

Band structure with spin-orbit coupling

Wannier charge center (WCC) at six time-reversal invariant planes