xxx 
Array
(
    [0] => Array
        (
            [id] => 1346
            [topology] => 4<sup>8</sup>T21
            [link_rcsr] => 
            [in_col] => 8
            [transitivity] => [8(16)91]
            [space_group] => P1
            [pearson] => aP8
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>8</sup>T21
            [sp_atoms] => 
            [caid] => 362
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.267
            [e_gap] => 
            [energy] => 1.013
            [bulk_mod] => 368.0
            [shear_mod] => 375.5
            [vicker_hard] => 68.1
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1347
            [topology] => 4<sup>8</sup>T21
            [link_rcsr] => 
            [in_col] => 8
            [transitivity] => [8(16)91]
            [space_group] => P1
            [pearson] => aP8
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>8</sup>T21
            [sp_atoms] => 
            [caid] => 362
            [nn] => 1
            [name] => G13
            [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: 362

Topology: 48T21

# of independent nodes (IN): 8
Transitivity: [8(16)91]
Space Group: P1
Pearson: aP8
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
48T21 (SACADA #362)3.2671.013368.0375.568.1SACADA¹
G13doi: 10.1002/cphc.201700151 
Elasticity tensor (kBar)¹

8557.69411028.88751258.54529.2513-7.1411-152.4635
1028.88759735.44841023.9161-132.9693-7.230453.5912
1258.54521023.91618265.1789-13.7905211.3277-229.8163
9.2513-132.9693-13.79053507.3643261.5038-171.5301
-7.1411-7.2304211.3277261.50383591.2247194.4886
-152.463553.5912-229.8163-171.5301194.48863989.6656

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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