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Array
(
    [0] => Array
        (
            [id] => 1637
            [topology] => 4<sup>6</sup>T45
            [link_rcsr] => 
            [in_col] => 6
            [transitivity] => [6(14)(14)6]
            [space_group] => Cm
            [pearson] => mS24
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>6</sup>T45
            [sp_atoms] => 
            [caid] => 507
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.191
            [e_gap] => 
            [energy] => 0.968
            [bulk_mod] => 355.6
            [shear_mod] => 337.2
            [vicker_hard] => 58.4
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1638
            [topology] => 4<sup>6</sup>T45
            [link_rcsr] => 
            [in_col] => 6
            [transitivity] => [6(14)(14)6]
            [space_group] => Cm
            [pearson] => mS24
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>6</sup>T45
            [sp_atoms] => 
            [caid] => 507
            [nn] => 1
            [name] => G220
            [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 Cite this: Angew. Chem. Int. Ed. 2016, 55, 10962–10976 

SACADA Database Code: 507

Topology: 46T45

# of independent nodes (IN): 6
Transitivity: [6(14)(14)6]
Space Group: Cm
Pearson: mS24
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
46T45 (SACADA #507)3.1910.968355.6337.258.4SACADA¹
G220doi: 10.1002/cphc.201700151 
Elasticity tensor (kBar)¹

8689.1804530.86371226.0942-0.00000.0000279.4365
530.86378155.48141056.67240.0000-0.0000-38.5582
1226.09421056.67249703.67080.0000-0.0000-840.9900
-0.00000.00000.00003214.8705-67.10570.0000
0.0000-0.0000-0.0000-67.10572382.5887-0.0000
279.4365-38.5582-840.99000.0000-0.00003671.0521

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 
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