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Array
(
    [0] => Array
        (
            [id] => 1565
            [topology] => 4<sup>5</sup>T60
            [link_rcsr] => 
            [in_col] => 5
            [transitivity] => [5(12)(12)6]
            [space_group] => Amm2
            [pearson] => oS32
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>5</sup>T60
            [sp_atoms] => 
            [caid] => 471
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.288
            [e_gap] => 
            [energy] => 0.900
            [bulk_mod] => 374.2
            [shear_mod] => 377.5
            [vicker_hard] => 68.1
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1566
            [topology] => 4<sup>5</sup>T60
            [link_rcsr] => 
            [in_col] => 5
            [transitivity] => [5(12)(12)6]
            [space_group] => Amm2
            [pearson] => oS32
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>5</sup>T60
            [sp_atoms] => 
            [caid] => 471
            [nn] => 1
            [name] => G179
            [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 Apps Cite this: Angew. Chem. Int. Ed. 2016, 55, 10962–10976 

SACADA Database Code: 471

Topology: 45T60

# of independent nodes (IN): 5
Transitivity: [5(12)(12)6]
Space Group: Amm2
Pearson: oS32
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
45T60 (SACADA #471)3.2880.900374.2377.568.1SACADA¹
G179doi: 10.1002/cphc.201700151 
Elasticity tensor (kBar)¹

9267.3566414.7150804.09270.00000.0000-0.0000
414.71509747.58331185.5276-0.00000.0000-0.0000
804.09271185.52769910.05880.00000.00000.0000
0.0000-0.0000-0.00003306.49560.00000.0000
-0.00000.0000-0.00000.00004099.59920.0000
-0.0000-0.00000.0000-0.00000.00002904.9056

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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