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Formula : Ca
5
Pd
2
Space Group :
C2/c (15)
Centrosymmetric : True
Dimensionality : 2D
Structure parameters
a = 16.694
b = 6.708
c = 7.704
α = 90.0
β = 97.3
γ = 90.0
Number of atoms per primitive cell = 14
Total number of electrons per primitive cell = 172
Band gap = 0.0 eV
Direct Gap = 0.016 eV
Metallicity = 0.327
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 619503
Band structure with spin-orbit coupling