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Array
(
    [0] => Array
        (
            [id] => 1453
            [topology] => 4<sup>3</sup>T177
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3641]
            [space_group] => C2
            [pearson] => mS10
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>3</sup>T177
            [sp_atoms] => 
            [caid] => 415
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.313
            [e_gap] => 
            [energy] => 1.532
            [bulk_mod] => 320.6
            [shear_mod] => 339.5
            [vicker_hard] => 62.5
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1454
            [topology] => 4<sup>3</sup>T177
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3641]
            [space_group] => C2
            [pearson] => mS10
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>3</sup>T177
            [sp_atoms] => 
            [caid] => 415
            [nn] => 1
            [name] => G113
            [pressure] => 
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [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: 415

Topology: 43T177

# of independent nodes (IN): 3
Transitivity: [3641]
Space Group: C2
Pearson: mS10
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
43T177 (SACADA #415)3.3131.532320.6339.562.5SACADA¹
G113doi: 10.1002/cphc.201700151 
Elasticity tensor (kBar)¹

6456.16741947.8971594.23330.00000.0000-636.4425
1947.89716888.2620953.1214-0.00000.0000-177.0784
594.2333953.12148582.42620.00000.0000-305.0292
0.0000-0.0000-0.00003551.0961-249.9389-0.0000
0.0000-0.0000-0.0000-249.93893961.7986-0.0000
-636.4425-177.0784-305.0292-0.0000-0.00003620.0525

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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