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Array
(
    [0] => Array
        (
            [id] => 1743
            [topology] => 4<sup>3</sup>T57-CA
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3752]
            [space_group] => P21/c
            [pearson] => mP12
            [cn] => 4
            [Year] => 2021
            [cn_sort] => 004-
            [topology_str] => 4^3T57-CA
            [sp_atoms] => 
            [caid] => 560
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.244
            [e_gap] => 
            [energy] => 0.577
            [bulk_mod] => 346.8
            [shear_mod] => 358.3
            [vicker_hard] => 65.4
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1744
            [topology] => 4<sup>3</sup>T57-CA
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3752]
            [space_group] => P21/c
            [pearson] => mP12
            [cn] => 4
            [Year] => 2021
            [cn_sort] => 004-
            [topology_str] => 4^3T57-CA
            [sp_atoms] => 
            [caid] => 560
            [nn] => 1
            [name] => 4<sup>3</sup>T57-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 Cite this: Angew. Chem. Int. Ed. 2016, 55, 10962–10976 

SACADA Database Code: 560

Topology: 43T57-CA

# of independent nodes (IN): 3
Transitivity: [3752]
Space Group: P21/c
Pearson: mP12
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
43T57-CA (SACADA #560)3.2440.577346.8358.365.4SACADA¹
43T57-CAdoi: 10.1038/s41524-021-00491-y 
Elasticity tensor (kBar)¹

8537.7770615.8150837.6338-0.0000-0.0000-123.4814
615.81508013.75761416.9961-0.0000-0.000023.2401
837.63381416.99618985.1648-0.00000.0000-774.1197
-0.0000-0.0000-0.00002813.0914-79.6172-0.0000
-0.0000-0.00000.0000-79.61724494.0449-0.0000
-123.481423.2401-774.1197-0.0000-0.00003295.0413

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 – 2024 SCTMS  Team References support@sacada.info Cite this: Angew. Chem. Int. Ed. 2016, 55, 10962–10976 
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