• Formula : P2Pd
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.2
    b = 5.85
    c = 5.887
    α = 90.0
    β = 111.76
    γ = 90.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 56
  • Band gap = 0.0 eV
    Direct Gap = 0.287 eV
    Metallicity = 0.015
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 166275

Band structure with spin-orbit coupling

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