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Array
(
    [0] => Array
        (
            [id] => 1621
            [topology] => 4<sup>7</sup>T29
            [link_rcsr] => 
            [in_col] => 7
            [transitivity] => [7(14)(12)5]
            [space_group] => P21
            [pearson] => mP14
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>7</sup>T29
            [sp_atoms] => 
            [caid] => 499
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.264
            [e_gap] => 
            [energy] => 1.074
            [bulk_mod] => 363.4
            [shear_mod] => 376.6
            [vicker_hard] => 68.8
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1622
            [topology] => 4<sup>7</sup>T29
            [link_rcsr] => 
            [in_col] => 7
            [transitivity] => [7(14)(12)5]
            [space_group] => P21
            [pearson] => mP14
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>7</sup>T29
            [sp_atoms] => 
            [caid] => 499
            [nn] => 1
            [name] => G212
            [pressure] => 
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2017_ChemPhysChem_18_873
            [publ_year] => 2017
            [ref] => 
        )

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

SACADA Database Code: 499

Topology: 47T29

# of independent nodes (IN): 7
Transitivity: [7(14)(12)5]
Space Group: P21
Pearson: mP14
Coordination Number (CN): 4

Year: 2017

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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
47T29 (SACADA #499)3.2641.074363.4376.668.8SACADA¹
G212doi: 10.1002/cphc.201700151 
Elasticity tensor (kBar)¹

8728.8877958.85181672.9016-0.0001-0.0000-52.0244
958.85189270.9511718.9108-0.0001-0.0001-99.9593
1672.9016718.91088035.0367-0.0000-0.0001103.0274
-0.0001-0.0001-0.00004114.5602-456.9449-0.0000
-0.0000-0.0001-0.0001-456.94493335.5310-0.0000
-52.0244-99.9593103.0274-0.0000-0.00003919.6849

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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