xxx 
Array
(
    [0] => Array
        (
            [id] => 1581
            [topology] => 4<sup>3</sup>T182
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3772]
            [space_group] => C2/c
            [pearson] => mS24
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>3</sup>T182
            [sp_atoms] => 
            [caid] => 479
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.195
            [e_gap] => 
            [energy] => 0.937
            [bulk_mod] => 367.0
            [shear_mod] => 367.7
            [vicker_hard] => 66.1
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1582
            [topology] => 4<sup>3</sup>T182
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3772]
            [space_group] => C2/c
            [pearson] => mS24
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>3</sup>T182
            [sp_atoms] => 
            [caid] => 479
            [nn] => 1
            [name] => G187
            [pressure] => 
            [density] => 
            [e_gap] => 
            [energy] => 
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            [vicker_hard] => 
            [ref_file] => /References/2017_ChemPhysChem_18_873
            [publ_year] => 2017
            [ref] => 
        )

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

SACADA Database Code: 479

Topology: 43T182

# of independent nodes (IN): 3
Transitivity: [3772]
Space Group: C2/c
Pearson: mS24
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
43T182 (SACADA #479)3.1950.937367.0367.766.1SACADA¹
G187doi: 10.1002/cphc.201700151 
Elasticity tensor (kBar)¹

7146.20941827.94871142.96110.0000-0.0000-224.9890
1827.94879190.03251019.7460-0.0000-0.0000812.3217
1142.96111019.74608858.5666-0.0000-0.0000-381.1425
0.0000-0.0000-0.00003068.7122237.87450.0000
0.0000-0.0000-0.0000237.87454423.69230.0000
-224.9890812.3217-381.14250.00000.00004062.8816

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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