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Array
(
    [0] => Array
        (
            [id] => 2013
            [topology] => 4<sup>4</sup>T69-CA
            [link_rcsr] => 
            [in_col] => 4
            [transitivity] => [4(10)94]
            [space_group] => C2/c
            [pearson] => mS32
            [cn] => 4
            [Year] => 2023
            [cn_sort] => 004-
            [topology_str] => 4^4T69-CA
            [sp_atoms] => 
            [caid] => 695
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.441
            [e_gap] => 
            [energy] => 0.547
            [bulk_mod] => 395.0
            [shear_mod] => 435.0
            [vicker_hard] => 81.2
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 2014
            [topology] => 4<sup>4</sup>T69-CA
            [link_rcsr] => 
            [in_col] => 4
            [transitivity] => [4(10)94]
            [space_group] => C2/c
            [pearson] => mS32
            [cn] => 4
            [Year] => 2023
            [cn_sort] => 004-
            [topology_str] => 4^4T69-CA
            [sp_atoms] => 
            [caid] => 695
            [nn] => 1
            [name] => 4<sup>4</sup>T69-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 Cite this: Angew. Chem. Int. Ed. 2016, 55, 10962–10976 

SACADA Database Code: 695

Topology: 44T69-CA

# of independent nodes (IN): 4
Transitivity: [4(10)94]
Space Group: C2/c
Pearson: mS32
Coordination Number (CN): 4

Year: 2023

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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
44T69-CA (SACADA #695)3.4410.547395.0435.081.2SACADA¹
44T69-CAdoi: 10.1107/S205252062300255X 
Elasticity tensor (kBar)¹

9695.3533212.20211555.05700.0000-0.0000782.4159
212.202111418.3470466.41730.0000-0.0000219.2069
1555.0570466.41739976.03590.0000-0.0000-331.9783
0.00000.0000-0.00003728.4951215.4948-0.0000
-0.0000-0.0000-0.0000215.49484244.1681-0.0000
782.4159219.2069-331.9783-0.0000-0.00004337.7481

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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