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Array
(
    [0] => Array
        (
            [id] => 1769
            [topology] => 4<sup>3</sup>T148-CA
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3762]
            [space_group] => I2/a
            [pearson] => mS24
            [cn] => 4
            [Year] => 2021
            [cn_sort] => 004-
            [topology_str] => 4^3T148-CA
            [sp_atoms] => 
            [caid] => 573
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.235
            [e_gap] => 
            [energy] => 0.309
            [bulk_mod] => 388.9
            [shear_mod] => 392.6
            [vicker_hard] => 70.8
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1770
            [topology] => 4<sup>3</sup>T148-CA
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3762]
            [space_group] => I2/a
            [pearson] => mS24
            [cn] => 4
            [Year] => 2021
            [cn_sort] => 004-
            [topology_str] => 4^3T148-CA
            [sp_atoms] => 
            [caid] => 573
            [nn] => 1
            [name] => 4<sup>3</sup>T148-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 Apps Cite this: Angew. Chem. Int. Ed. 2016, 55, 10962–10976 

SACADA Database Code: 573

Topology: 43T148-CA

# of independent nodes (IN): 3
Transitivity: [3762]
Space Group: I2/a
Pearson: mS24
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
43T148-CA (SACADA #573)3.2350.309388.9392.670.8SACADA¹
43T148-CAdoi: 10.1038/s41524-021-00491-y 
Elasticity tensor (kBar)¹

9120.75011319.2633878.8401-0.0000-0.0000-17.4684
1319.26339302.55851665.5065-0.00000.0000-409.9047
878.84011665.50658885.8455-0.0000-0.0000-186.3363
-0.0000-0.0000-0.00004186.4703-27.8613-0.0000
-0.00000.0000-0.0000-27.86133798.0807-0.0000
-17.4684-409.9047-186.33630.0000-0.00003858.4677

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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