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80_2_39568   Dupes   Run TOTOPOL


Structure Data
Name80_2_39568
Type CodeGIS
Spacegroup 80
  I 41
Energy (eV/TO2) 0.00
FD (T/1000 Å3) 20.344
UC volume 3) 786.489
avg. TD10 727
Lattice Parameters
a 9.631
b 9.631
c 8.478
α 90.000
β 90.000
γ 90.000
Topological Data
CS and VS
CS T1 1 4 9 18 32 48 67 92 120 150 185 224 266 312 361 414
VS T1 4.4.4.8_{2}.8.8
Topological Spheres data
Di Df Dsf
3.73 1.93 1.93
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CIF file