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76_1_3   Dupes   Run TOTOPOL


Structure Data
Name76_1_3
Type Coden/a
Spacegroup 76
  P 41
Energy (eV/TO2) 0.03
FD (T/1000 Å3) 23.082
UC volume 3) 173.292
avg. TD10 1126
Lattice Parameters
a 6.066
b 6.066
c 4.710
α 90.000
β 90.000
γ 90.000
Topological Data
CS and VS
CS T1 1 4 12 26 48 74 104 144 186 234 292 350 416 492 566 650
VS T1 6.6.6_{2}.6_{2}.6_{3}.6_{3}
Topological Spheres data
Di Df Dsf
2.55 2.48 1.36
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CIF file