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Array
(
    [0] => Array
        (
            [id] => 1627
            [topology] => 4<sup>7</sup>T31
            [link_rcsr] => 
            [in_col] => 7
            [transitivity] => [7(15)(15)6]
            [space_group] => P-1
            [pearson] => aP14
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>7</sup>T31
            [sp_atoms] => 
            [caid] => 502
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.366
            [e_gap] => 
            [energy] => 1.075
            [bulk_mod] => 382.5
            [shear_mod] => 414.0
            [vicker_hard] => 76.8
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1628
            [topology] => 4<sup>7</sup>T31
            [link_rcsr] => 
            [in_col] => 7
            [transitivity] => [7(15)(15)6]
            [space_group] => P-1
            [pearson] => aP14
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>7</sup>T31
            [sp_atoms] => 
            [caid] => 502
            [nn] => 1
            [name] => G215
            [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: 502

Topology: 47T31

# of independent nodes (IN): 7
Transitivity: [7(15)(15)6]
Space Group: P-1
Pearson: aP14
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
47T31 (SACADA #502)3.3661.075382.5414.076.8SACADA¹
G215doi: 10.1002/cphc.201700151 
Elasticity tensor (kBar)¹

9560.66901032.28051198.5912-161.2701-71.1383-116.1910
1032.28058456.01141500.8260-488.8963369.9736-101.6549
1198.59121500.82608997.1992303.0342194.9372-104.3690
-161.2701-488.8963303.03424257.4260-261.2042196.3184
-71.1383369.9736194.9372-261.20424449.4187-106.4184
-116.1910-101.6549-104.3690196.3184-106.41844314.5452

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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