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Array
(
    [0] => Array
        (
            [id] => 1407
            [topology] => 4<sup>16</sup>T8
            [link_rcsr] => 
            [in_col] => 16
            [transitivity] => [(16)(32)(32)(16)]
            [space_group] => P1
            [pearson] => aP16
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>16</sup>T8
            [sp_atoms] => 
            [caid] => 392
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.529
            [e_gap] => 
            [energy] => 0.754
            [bulk_mod] => 421.9
            [shear_mod] => 496.0
            [vicker_hard] => 93.8
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1408
            [topology] => 4<sup>16</sup>T8
            [link_rcsr] => 
            [in_col] => 16
            [transitivity] => [(16)(32)(32)(16)]
            [space_group] => P1
            [pearson] => aP16
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>16</sup>T8
            [sp_atoms] => 
            [caid] => 392
            [nn] => 1
            [name] => G81
            [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: 392

Topology: 416T8

# of independent nodes (IN): 16
Transitivity: [(16)(32)(32)(16)]
Space Group: P1
Pearson: aP16
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
416T8 (SACADA #392)3.5290.754421.9496.093.8SACADA¹
G81doi: 10.1002/cphc.201700151 
Elasticity tensor (kBar)¹

11888.7658836.8972462.09305.1581-125.337725.8133
836.897211059.6842546.39944.3971106.514973.7046
462.0930546.399411349.9693-3.055012.0927-90.6464
5.15814.3971-3.05505165.71864.2557-126.9109
-125.3377106.514912.09274.25574257.94295.2215
25.813373.7046-90.6464-126.91095.22154681.4402

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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