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Array
(
    [0] => Array
        (
            [id] => 1767
            [topology] => 4<sup>3</sup>T147-CA
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3862]
            [space_group] => Pnna
            [pearson] => oP24
            [cn] => 4
            [Year] => 2021
            [cn_sort] => 004-
            [topology_str] => 4^3T147-CA
            [sp_atoms] => 
            [caid] => 572
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.223
            [e_gap] => 
            [energy] => 0.321
            [bulk_mod] => 388.5
            [shear_mod] => 391.6
            [vicker_hard] => 70.6
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1768
            [topology] => 4<sup>3</sup>T147-CA
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3862]
            [space_group] => Pnna
            [pearson] => oP24
            [cn] => 4
            [Year] => 2021
            [cn_sort] => 004-
            [topology_str] => 4^3T147-CA
            [sp_atoms] => 
            [caid] => 572
            [nn] => 1
            [name] => 4<sup>3</sup>T147-CA
            [pressure] => 
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2021_npjComputMater_7_15
            [publ_year] => 2021
            [ref] => doi:&nbsp;<a href="http://doi.org/10.1038/s41524-021-00491-y" target="_blank">10.1038/s41524-021-00491-y</a>
        )

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

SACADA Database Code: 572

Topology: 43T147-CA

# of independent nodes (IN): 3
Transitivity: [3862]
Space Group: Pnna
Pearson: oP24
Coordination Number (CN): 4

Year: 2021

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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
43T147-CA (SACADA #572)3.2230.321388.5391.670.6SACADA¹
43T147-CAdoi: 10.1038/s41524-021-00491-y 
Elasticity tensor (kBar)¹

8958.1848795.27391792.8761-0.00000.0000-0.0000
795.27399091.22461196.7435-0.00000.0000-0.0000
1792.87611196.74359403.65350.00000.00000.0000
-0.0000-0.00000.00003810.9838-0.0000-0.0000
-0.00000.0000-0.0000-0.00004126.09190.0000
-0.0000-0.00000.0000-0.0000-0.00003787.4202

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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