xxx 
Array
(
    [0] => Array
        (
            [id] => 1245
            [topology] => 4<sup>10</sup>T6
            [link_rcsr] => 
            [in_col] => 10
            [transitivity] => [(10)(21)(14)3]
            [space_group] => P-1
            [pearson] => aP20
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => 4<sup>10</sup>T6
            [sp_atoms] => 
            [caid] => 319
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.226
            [e_gap] => 
            [energy] => 1.235
            [bulk_mod] => 327.4
            [shear_mod] => 334.1
            [vicker_hard] => 60.6
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1246
            [topology] => 4<sup>10</sup>T6
            [link_rcsr] => 
            [in_col] => 10
            [transitivity] => [(10)(21)(14)3]
            [space_group] => P-1
            [pearson] => aP20
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => 4<sup>10</sup>T6
            [sp_atoms] => 
            [caid] => 319
            [nn] => 1
            [name] => phaseIII
            [pressure] => 290
            [density] => 3.16
            [e_gap] => 5.1
            [energy] => 
            [bulk_mod] => 427
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2013_Carbon_63_562_592
            [publ_year] => 2013
            [ref] => 
        )

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

SACADA Database Code: 319

Topology: 410T6

# of independent nodes (IN): 10
Transitivity: [(10)(21)(14)3]
Space Group: P-1
Pearson: aP20
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
410T6 (SACADA #319)3.2261.235327.4334.160.6SACADA¹
phaseIII2903.165.1427doi: 10.1016/j.carbon.2013.06.086 
Elasticity tensor (kBar)¹

8096.21111369.7671612.0228412.652661.8336195.5303
1369.76717418.0817897.0929173.8689-128.7030138.0880
612.0228897.09298199.0404-200.0713236.0613-41.3681
412.6526173.8689-200.07133536.6721275.3005-212.3468
61.8336-128.7030236.0613275.30053181.0283176.7057
195.5303138.0880-41.3681-212.3468176.70573121.2172

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 – 2026 SCTMS  Team References support@sacada.info Cite this: Angew. Chem. Int. Ed. 2016, 55, 10962–10976 
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