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Array
(
    [0] => Array
        (
            [id] => 1661
            [topology] => 4<sup>3</sup>T191
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [39(11)5]
            [space_group] => C2/m
            [pearson] => mS24
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>3</sup>T191
            [sp_atoms] => 
            [caid] => 519
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.355
            [e_gap] => 
            [energy] => 0.987
            [bulk_mod] => 371.9
            [shear_mod] => 376.3
            [vicker_hard] => 68.0
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1662
            [topology] => 4<sup>3</sup>T191
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [39(11)5]
            [space_group] => C2/m
            [pearson] => mS24
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>3</sup>T191
            [sp_atoms] => 
            [caid] => 519
            [nn] => 1
            [name] => G238
            [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: 519

Topology: 43T191

# of independent nodes (IN): 3
Transitivity: [39(11)5]
Space Group: C2/m
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
43T191 (SACADA #519)3.3550.987371.9376.368.0SACADA¹
G238doi: 10.1002/cphc.201700151 
Elasticity tensor (kBar)¹

10174.98681143.1240700.30740.0000-0.0000170.9648
1143.12407828.7731721.2885-0.0000-0.0000337.1911
700.3074721.288510570.91300.0000-0.0000203.9670
-0.0000-0.00000.00002878.1083391.73700.0000
-0.0000-0.0000-0.0000391.73703165.03170.0000
170.9648337.1911203.96700.0000-0.00004503.5933

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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