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Array
(
    [0] => Array
        (
            [id] => 1641
            [topology] => 4<sup>5</sup>T61
            [link_rcsr] => 
            [in_col] => 5
            [transitivity] => [5(12)82]
            [space_group] => P-1
            [pearson] => aP10
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>5</sup>T61
            [sp_atoms] => 
            [caid] => 509
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.219
            [e_gap] => 
            [energy] => 1.129
            [bulk_mod] => 350.0
            [shear_mod] => 349.8
            [vicker_hard] => 62.8
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1642
            [topology] => 4<sup>5</sup>T61
            [link_rcsr] => 
            [in_col] => 5
            [transitivity] => [5(12)82]
            [space_group] => P-1
            [pearson] => aP10
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>5</sup>T61
            [sp_atoms] => 
            [caid] => 509
            [nn] => 1
            [name] => G222
            [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: 509

Topology: 45T61

# of independent nodes (IN): 5
Transitivity: [5(12)82]
Space Group: P-1
Pearson: aP10
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
45T61 (SACADA #509)3.2191.129350.0349.862.8SACADA¹
G222doi: 10.1002/cphc.201700151 
Elasticity tensor (kBar)¹

7569.17681035.28471248.2690-73.9117-62.2955256.7864
1035.28479521.6229881.0903-399.1539272.8187166.8399
1248.2690881.09038181.8351-249.3412100.1166-40.0371
-73.9117-399.1539-249.34123267.8044-72.9002-20.5600
-62.2955272.8187100.1166-72.90023228.1137103.8801
256.7864166.8399-40.0371-20.5600103.88013713.9693

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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