xxx 
Array
(
    [0] => Array
        (
            [id] => 1403
            [topology] => 4<sup>8</sup>T24
            [link_rcsr] => 
            [in_col] => 8
            [transitivity] => [8(17)(17)8]
            [space_group] => C2
            [pearson] => mS32
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>8</sup>T24
            [sp_atoms] => 
            [caid] => 390
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.528
            [e_gap] => 
            [energy] => 0.753
            [bulk_mod] => 420.5
            [shear_mod] => 493.0
            [vicker_hard] => 93.2
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1404
            [topology] => 4<sup>8</sup>T24
            [link_rcsr] => 
            [in_col] => 8
            [transitivity] => [8(17)(17)8]
            [space_group] => C2
            [pearson] => mS32
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>8</sup>T24
            [sp_atoms] => 
            [caid] => 390
            [nn] => 1
            [name] => G79
            [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: 390

Topology: 48T24

# of independent nodes (IN): 8
Transitivity: [8(17)(17)8]
Space Group: C2
Pearson: mS32
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
48T24 (SACADA #390)3.5280.753420.5493.093.2SACADA¹
G79doi: 10.1002/cphc.201700151 
Elasticity tensor (kBar)¹

11115.2963567.5083655.8788-0.0000-0.0000-106.6843
567.508311747.9428804.0227-0.00000.0000-249.0551
655.8788804.022710946.78270.00000.0000334.5270
-0.0000-0.00000.00004739.7972-354.89120.0000
-0.0000-0.00000.0000-354.89125111.9078-0.0000
-106.6843-249.0551334.52700.0000-0.00004290.3191

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 – 2024 SCTMS  Team References support@sacada.info Cite this: Angew. Chem. Int. Ed. 2016, 55, 10962–10976 
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