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Array
(
    [0] => Array
        (
            [id] => 1643
            [topology] => 4<sup>5</sup>T62
            [link_rcsr] => 
            [in_col] => 5
            [transitivity] => [5(10)72]
            [space_group] => An
            [pearson] => mS20
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>5</sup>T62
            [sp_atoms] => 
            [caid] => 510
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.324
            [e_gap] => 
            [energy] => 1.566
            [bulk_mod] => 340.0
            [shear_mod] => 350.9
            [vicker_hard] => 64.0
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1644
            [topology] => 4<sup>5</sup>T62
            [link_rcsr] => 
            [in_col] => 5
            [transitivity] => [5(10)72]
            [space_group] => An
            [pearson] => mS20
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>5</sup>T62
            [sp_atoms] => 
            [caid] => 510
            [nn] => 1
            [name] => G223
            [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: 510

Topology: 45T62

# of independent nodes (IN): 5
Transitivity: [5(10)72]
Space Group: An
Pearson: mS20
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
45T62 (SACADA #510)3.3241.566340.0350.964.0SACADA¹
G223doi: 10.1002/cphc.201700151 
Elasticity tensor (kBar)¹

8693.9769712.9088771.26710.0000-0.000021.8179
712.90889471.21951018.11120.0000-0.0000164.9377
771.26711018.11127544.85920.0000-0.0000485.2127
0.00000.00000.00003531.617639.7485-0.0000
-0.0000-0.0000-0.000039.74853162.58670.0000
21.8179164.9377485.2127-0.00000.00003212.1842

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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