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Array
(
    [0] => Array
        (
            [id] => 1253
            [topology] => 4<sup>11</sup>T9
            [link_rcsr] => 
            [in_col] => 11
            [transitivity] => [(11)(24)(20)8]
            [space_group] => P-1
            [pearson] => aP22
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => 4<sup>11</sup>T9
            [sp_atoms] => 
            [caid] => 323
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.507
            [e_gap] => 
            [energy] => 0.693
            [bulk_mod] => 421.5
            [shear_mod] => 489.7
            [vicker_hard] => 92.5
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1254
            [topology] => 4<sup>11</sup>T9
            [link_rcsr] => 
            [in_col] => 11
            [transitivity] => [(11)(24)(20)8]
            [space_group] => P-1
            [pearson] => aP22
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => 4<sup>11</sup>T9
            [sp_atoms] => 
            [caid] => 323
            [nn] => 1
            [name] => 22C
            [pressure] => 20
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2013_PhysRev_B_88_014102
            [publ_year] => 2013
            [ref] => 
        )

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

SACADA Database Code: 323

Topology: 411T9

# of independent nodes (IN): 11
Transitivity: [(11)(24)(20)8]
Space Group: P-1
Pearson: aP22
Coordination Number (CN): 4

Year: 2013

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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
411T9 (SACADA #323)3.5070.693421.5489.792.5SACADA¹
22C20doi: 10.1103/PhysRevB.88.014102 
Elasticity tensor (kBar)¹

9825.61221267.42851430.7962-171.98133.2632-33.0599
1267.428511183.2075729.2052-59.2763-250.8492140.5233
1430.7962729.205210094.9292-11.2766249.1477-139.2485
-171.9813-59.2763-11.27665458.7496-16.8828-6.9182
3.2632-250.8492249.1477-16.88284759.5554-115.4202
-33.0599140.5233-139.2485-6.9182-115.42025148.1291

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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