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Array
(
    [0] => Array
        (
            [id] => 1381
            [topology] => 4<sup>4</sup>T86
            [link_rcsr] => 
            [in_col] => 4
            [transitivity] => [4863]
            [space_group] => I2/a
            [pearson] => mS28
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>4</sup>T86
            [sp_atoms] => 
            [caid] => 379
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.424
            [e_gap] => 
            [energy] => 0.777
            [bulk_mod] => 411.0
            [shear_mod] => 452.9
            [vicker_hard] => 84.5
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1382
            [topology] => 4<sup>4</sup>T86
            [link_rcsr] => 
            [in_col] => 4
            [transitivity] => [4863]
            [space_group] => I2/a
            [pearson] => mS28
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>4</sup>T86
            [sp_atoms] => 
            [caid] => 379
            [nn] => 1
            [name] => G59
            [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: 379

Topology: 44T86

# of independent nodes (IN): 4
Transitivity: [4863]
Space Group: I2/a
Pearson: mS28
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
44T86 (SACADA #379)3.4240.777411.0452.984.5SACADA¹
G59doi: 10.1002/cphc.201700151 
Elasticity tensor (kBar)¹

9354.11421515.31991302.74990.00000.0000156.5761
1515.31999218.45571380.7883-0.0000-0.0000-79.2742
1302.74991380.788310041.6662-0.00000.0000528.7013
0.0000-0.0000-0.00004883.1478441.9266-0.0000
0.0000-0.00000.0000441.92664990.1399-0.0000
156.5761-79.2742528.7013-0.0000-0.00004733.2178

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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