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Array
(
    [0] => Array
        (
            [id] => 1965
            [topology] => 4<sup>4</sup>T39-CA
            [link_rcsr] => 
            [in_col] => 4
            [transitivity] => [4982]
            [space_group] => I2/m
            [pearson] => mS24
            [cn] => 4
            [Year] => 2023
            [cn_sort] => 004-
            [topology_str] => 4^4T39-CA
            [sp_atoms] => 
            [caid] => 671
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.451
            [e_gap] => 
            [energy] => 0.342
            [bulk_mod] => 416.7
            [shear_mod] => 466.1
            [vicker_hard] => 87.3
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1966
            [topology] => 4<sup>4</sup>T39-CA
            [link_rcsr] => 
            [in_col] => 4
            [transitivity] => [4982]
            [space_group] => I2/m
            [pearson] => mS24
            [cn] => 4
            [Year] => 2023
            [cn_sort] => 004-
            [topology_str] => 4^4T39-CA
            [sp_atoms] => 
            [caid] => 671
            [nn] => 1
            [name] => 4<sup>4</sup>T39-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: 671

Topology: 44T39-CA

# of independent nodes (IN): 4
Transitivity: [4982]
Space Group: I2/m
Pearson: mS24
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
44T39-CA (SACADA #671)3.4510.342416.7466.187.3SACADA¹
44T39-CAdoi: 10.1107/S205252062300255X 
Elasticity tensor (kBar)¹

10849.10811000.78941145.2888-0.0000-0.0000-111.3023
1000.789410729.7641517.9587-0.0000-0.0000437.6914
1145.2888517.958710614.7434-0.0000-0.00008.5882
-0.0000-0.0000-0.00005165.7138313.3247-0.0000
-0.0000-0.0000-0.0000313.32473814.1275-0.0000
-111.3023437.69148.5882-0.0000-0.00004620.9823

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