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Array
(
    [0] => Array
        (
            [id] => 1405
            [topology] => 4<sup>2</sup>T193
            [link_rcsr] => 
            [in_col] => 2
            [transitivity] => [2543]
            [space_group] => I41/a
            [pearson] => tI32
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>2</sup>T193
            [sp_atoms] => 
            [caid] => 391
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.395
            [e_gap] => 
            [energy] => 0.844
            [bulk_mod] => 398.5
            [shear_mod] => 441.5
            [vicker_hard] => 82.5
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1406
            [topology] => 4<sup>2</sup>T193
            [link_rcsr] => 
            [in_col] => 2
            [transitivity] => [2543]
            [space_group] => I41/a
            [pearson] => tI32
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>2</sup>T193
            [sp_atoms] => 
            [caid] => 391
            [nn] => 1
            [name] => G80
            [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: 391

Topology: 42T193

# of independent nodes (IN): 2
Transitivity: [2543]
Space Group: I41/a
Pearson: tI32
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
42T193 (SACADA #391)3.3950.844398.5441.582.5SACADA¹
G80doi: 10.1002/cphc.201700151 
Elasticity tensor (kBar)¹

10084.89621110.59211071.5401-672.5407-0.00000.0000
1110.592110084.89621071.5401672.5407-0.0000-0.0000
1071.54011071.54019224.40700.00000.00000.0000
-672.5407672.54070.00004849.7553-0.0000-0.0000
-0.0000-0.00000.0000-0.00004271.5186-0.0000
0.0000-0.0000-0.0000-0.0000-0.00004271.5186

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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