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Formula : YPt
Space Group :
Pnma (62)
Centrosymmetric : True
Dimensionality : 3D
Structure parameters
a = 7.01
b = 4.471
c = 5.552
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 8
Total number of electrons per primitive cell = 84
Band gap = 0.0 eV
Direct Gap = 0.000 eV
Metallicity = 0.582
Topological Z2 indices ν = (1;011)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 649850
Band structure with spin-orbit coupling