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Array
(
    [0] => Array
        (
            [id] => 1827
            [topology] => 4<sup>3</sup>T178-CA
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3797]
            [space_group] => P4/mmm
            [pearson] => tP24
            [cn] => 4
            [Year] => 2021
            [cn_sort] => 004-
            [topology_str] => 4^3T178-CA
            [sp_atoms] => 
            [caid] => 602
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 2.494
            [e_gap] => 
            [energy] => 1.207
            [bulk_mod] => 213.6
            [shear_mod] => 108.1
            [vicker_hard] => 13.9
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1828
            [topology] => 4<sup>3</sup>T178-CA
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3797]
            [space_group] => P4/mmm
            [pearson] => tP24
            [cn] => 4
            [Year] => 2021
            [cn_sort] => 004-
            [topology_str] => 4^3T178-CA
            [sp_atoms] => 
            [caid] => 602
            [nn] => 1
            [name] => 4<sup>3</sup>T178-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: 602

Topology: 43T178-CA

# of independent nodes (IN): 3
Transitivity: [3797]
Space Group: P4/mmm
Pearson: tP24
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
43T178-CA (SACADA #602)2.4941.207213.6108.113.9SACADA¹
43T178-CAdoi: 10.1038/s41524-021-00491-y 
Elasticity tensor (kBar)¹

2812.11101047.80521720.92400.00000.00000.0000
1047.80522812.11101720.9240-0.00000.00000.0000
1720.92401720.92406547.0890-0.0000-0.00000.0000
0.0000-0.0000-0.00001684.4762-0.00000.0000
-0.00000.0000-0.0000-0.0000783.7543-0.0000
0.00000.00000.0000-0.0000-0.0000783.7544

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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