xxx 
Array
(
    [0] => Array
        (
            [id] => 1957
            [topology] => 4<sup>4</sup>T34-CA
            [link_rcsr] => 
            [in_col] => 4
            [transitivity] => [4(13)(10)5]
            [space_group] => P2/n
            [pearson] => mP16
            [cn] => 4
            [Year] => 2023
            [cn_sort] => 004-
            [topology_str] => 4^4T34-CA
            [sp_atoms] => 
            [caid] => 667
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.485
            [e_gap] => 
            [energy] => 0.898
            [bulk_mod] => 371.8
            [shear_mod] => 284.4
            [vicker_hard] => 37.3
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1958
            [topology] => 4<sup>4</sup>T34-CA
            [link_rcsr] => 
            [in_col] => 4
            [transitivity] => [4(13)(10)5]
            [space_group] => P2/n
            [pearson] => mP16
            [cn] => 4
            [Year] => 2023
            [cn_sort] => 004-
            [topology_str] => 4^4T34-CA
            [sp_atoms] => 
            [caid] => 667
            [nn] => 1
            [name] => 4<sup>4</sup>T34-CA
            [pressure] => 
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2023_ActaCrystB_79
            [publ_year] => 2023
            [ref] => doi:&nbsp;<a href="http://doi.org/10.1107/S205252062300255X" target="_blank">10.1107/S205252062300255X</a>
        )

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

SACADA Database Code: 667

Topology: 44T34-CA

# of independent nodes (IN): 4
Transitivity: [4(13)(10)5]
Space Group: P2/n
Pearson: mP16
Coordination Number (CN): 4

Year: 2023

 Download CIF File

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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
44T34-CA (SACADA #667)3.4850.898371.8284.437.3SACADA¹
44T34-CAdoi: 10.1107/S205252062300255X 
Elasticity tensor (kBar)¹

12285.437666.6586394.33130.00000.0000-91.3962
66.65868241.0085625.09430.0000-0.0000-824.3237
394.3313625.094311234.4788-0.0000-0.0000-836.2320
0.00000.0000-0.00001664.8396-2507.5460-0.0000
0.0000-0.0000-0.0000-2507.54601033.4776-0.0000
-91.3962-824.3237-836.2320-0.0000-0.00004202.9399

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 
xxx