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Array
(
    [0] => Array
        (
            [id] => 1469
            [topology] => 4<sup>5</sup>T57
            [link_rcsr] => 
            [in_col] => 5
            [transitivity] => [5995]
            [space_group] => C2221
            [pearson] => oS32
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>5</sup>T57
            [sp_atoms] => 
            [caid] => 423
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.413
            [e_gap] => 
            [energy] => 0.904
            [bulk_mod] => 388.2
            [shear_mod] => 440.0
            [vicker_hard] => 82.7
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1470
            [topology] => 4<sup>5</sup>T57
            [link_rcsr] => 
            [in_col] => 5
            [transitivity] => [5995]
            [space_group] => C2221
            [pearson] => oS32
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>5</sup>T57
            [sp_atoms] => 
            [caid] => 423
            [nn] => 1
            [name] => G123
            [pressure] => 
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2017_ChemPhysChem_18_873
            [publ_year] => 2017
            [ref] => 
        )

)
General information SACADA Check your allotrope Apps Cite this: Angew. Chem. Int. Ed. 2016, 55, 10962–10976 

SACADA Database Code: 423

Topology: 45T57

# of independent nodes (IN): 5
Transitivity: [5995]
Space Group: C2221
Pearson: oS32
Coordination Number (CN): 4

Year: 2017

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Style:  Wireframe   Capped sticks   Spacefill   Ball&Sticks
Labels:  No Labels   All Atoms
Translations:  {1x1x1}   {2x2x2}  {3x3x3}
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Data

Name

Pressure, GPa

Density, g/cm³

Gap, eV

Relative energy, eV/atom

Bulk, GPa

Shear, GPa

Vickers, GPa

Refs
45T57 (SACADA #423)3.4130.904388.2440.082.7SACADA¹
G123doi: 10.1002/cphc.201700151 
Elasticity tensor (kBar)¹

8893.70231324.59701355.1973-0.00000.0000-0.0000
1324.59709330.2666769.9654-0.0000-0.0000-0.0000
1355.1973769.96549821.3108-0.0000-0.0000-0.0000
-0.0000-0.0000-0.00004698.34340.0000-0.0000
0.0000-0.0000-0.00000.00004279.5173-0.0000
-0.0000-0.0000-0.0000-0.0000-0.00004910.4982

¹ We apply the density functional theory (DFT) approach by using the Vienna Ab Initio Simulation Package (VASP) to calculate the total energy and properties of carbon allotropes.

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© 2016 – 2025 SCTMS  Team References support@sacada.info Cite this: Angew. Chem. Int. Ed. 2016, 55, 10962–10976 
xxx