xxx 
Array
(
    [0] => Array
        (
            [id] => 871
            [topology] => 3<sup>3</sup>,4T79
            [link_rcsr] => 
            [in_col] => 4
            [transitivity] => [4442]
            [space_group] => P42/mmc
            [pearson] => tP14
            [cn] => 3, 4 (6:1)
            [Year] => 2013
            [cn_sort] => 003-004-006-001-
            [topology_str] => 3<sup>3</sup>,4T79
            [sp_atoms] => 
            [caid] => 205
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 2.972
            [e_gap] => 
            [energy] => 0.952
            [bulk_mod] => 349.5
            [shear_mod] => 168.4
            [vicker_hard] => 22.3
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 872
            [topology] => 3<sup>3</sup>,4T79
            [link_rcsr] => 
            [in_col] => 4
            [transitivity] => [4442]
            [space_group] => P42/mmc
            [pearson] => tP14
            [cn] => 3, 4 (6:1)
            [Year] => 2013
            [cn_sort] => 003-004-006-001-
            [topology_str] => 3<sup>3</sup>,4T79
            [sp_atoms] => 
            [caid] => 205
            [nn] => 1
            [name] => T14
            [pressure] => 
            [density] => 2.923
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 349.6
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/pnas.201311028SI
            [publ_year] => 
            [ref] => 
        )

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

SACADA Database Code: 205

Topology: 33,4T79

# of independent nodes (IN): 4
Transitivity: [4442]
Space Group: P42/mmc
Pearson: tP14
Coordination Number (CN): 3, 4 (6:1)

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
33,4T79 (SACADA #205)2.9720.952349.5168.422.3SACADA¹
T142.923349.6doi: 10.1073/pnas.1311028110 
Elasticity tensor (kBar)¹

7416.1788160.12851384.04530.0000-0.00000.0000
160.12857416.17881384.04530.00000.0000-0.0000
1384.04531384.045312097.70010.0000-0.0000-0.0000
0.00000.00000.0000690.70020.00000.0000
-0.00000.0000-0.00000.0000972.10960.0000
0.0000-0.0000-0.00000.00000.0000972.1081

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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