• Formula : KP
  • Space Group : I4_1/amd (141)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 7.42
    b = 7.42
    c = 6.97
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 28
  • Band gap = 0.0 eV
    Direct Gap = 0.015 eV
    Metallicity = 0.048
    Topological Z2 indices ν = (1;111)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Ueber die Kristallstruktur des primaeren Kaliumphosphats K H2 P O4 und isomorpher Salze. _cod_database_code 1010576,
    Zeitschrift fur Elektrochemie 31, 523 (1925)

Band structure with spin-orbit coupling