xxx 
Array
(
    [0] => Array
        (
            [id] => 638
            [topology] => 3,4T227
            [link_rcsr] => 
            [in_col] => 2
            [transitivity] => [2563]
            [space_group] => Cmcm
            [pearson] => oS24
            [cn] => 3, 4 (1:2)
            [Year] => 2016
            [cn_sort] => 003-004-001-002-
            [topology_str] => 3,4T227
            [sp_atoms] => 
            [caid] => 140
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.171
            [e_gap] => 
            [energy] => 0.329
            [bulk_mod] => 367.0
            [shear_mod] => 329.4
            [vicker_hard] => 54.2
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 639
            [topology] => 3,4T227
            [link_rcsr] => 
            [in_col] => 2
            [transitivity] => [2563]
            [space_group] => Cmcm
            [pearson] => oS24
            [cn] => 3, 4 (1:2)
            [Year] => 2016
            [cn_sort] => 003-004-001-002-
            [topology_str] => 3,4T227
            [sp_atoms] => 
            [caid] => 140
            [nn] => 1
            [name] => oC24
            [pressure] => 52.8
            [density] => 
            [e_gap] => 1.29
            [energy] => 
            [bulk_mod] => 371.4
            [shear_mod] => 340.4
            [vicker_hard] => 51.7
            [ref_file] => /References/2016_AIPAdvance_055020
            [publ_year] => 2016
            [ref] => 
        )

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

SACADA Database Code: 140

Topology: 3,4T227

# of independent nodes (IN): 2
Transitivity: [2563]
Space Group: Cmcm
Pearson: oS24
Coordination Number (CN): 3, 4 (1:2)

Year: 2016

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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
3,4T227 (SACADA #140)3.1710.329367.0329.454.2SACADA¹
oC2452.81.29371.4340.451.7doi: 10.1063/1.4952426 
Elasticity tensor (kBar)¹

10459.8786775.99871604.59340.00000.0000-0.0000
775.99876471.3897713.23960.0000-0.00000.0000
1604.5934713.239611104.4933-0.0000-0.00000.0000
0.00000.0000-0.00002024.93580.0000-0.0000
0.0000-0.0000-0.00000.00002262.2730-0.0000
-0.00000.00000.0000-0.0000-0.00005085.2537

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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