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Array
(
    [0] => Array
        (
            [id] => 1513
            [topology] => 4<sup>6</sup>T37
            [link_rcsr] => 
            [in_col] => 6
            [transitivity] => [6(14)92]
            [space_group] => P-1
            [pearson] => aP12
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>6</sup>T37
            [sp_atoms] => 
            [caid] => 445
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.376
            [e_gap] => 
            [energy] => 0.798
            [bulk_mod] => 398.9
            [shear_mod] => 437.2
            [vicker_hard] => 81.5
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1514
            [topology] => 4<sup>6</sup>T37
            [link_rcsr] => 
            [in_col] => 6
            [transitivity] => [6(14)92]
            [space_group] => P-1
            [pearson] => aP12
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>6</sup>T37
            [sp_atoms] => 
            [caid] => 445
            [nn] => 1
            [name] => G151
            [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: 445

Topology: 46T37

# of independent nodes (IN): 6
Transitivity: [6(14)92]
Space Group: P-1
Pearson: aP12
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
46T37 (SACADA #445)3.3760.798398.9437.281.5SACADA¹
G151doi: 10.1002/cphc.201700151 
Elasticity tensor (kBar)¹

8793.70651742.51031032.4160100.6696156.675243.7150
1742.51038827.52021020.2716-65.8487-193.089681.0835
1032.41601020.271610747.7832146.6321-296.9686-235.4079
100.6696-65.8487146.63214626.4330-143.7489-38.5901
156.6752-193.0896-296.9686-143.74894570.2370376.5069
43.715081.0835-235.4079-38.5901376.50694623.2875

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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