xxx 
Array
(
    [0] => Array
        (
            [id] => 1459
            [topology] => 4<sup>16</sup>T9
            [link_rcsr] => 
            [in_col] => 16
            [transitivity] => [(16)(32)(23)7]
            [space_group] => P1
            [pearson] => aP16
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>16</sup>T9
            [sp_atoms] => 
            [caid] => 418
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.373
            [e_gap] => 
            [energy] => 0.932
            [bulk_mod] => 388.5
            [shear_mod] => 415.7
            [vicker_hard] => 76.9
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1460
            [topology] => 4<sup>16</sup>T9
            [link_rcsr] => 
            [in_col] => 16
            [transitivity] => [(16)(32)(23)7]
            [space_group] => P1
            [pearson] => aP16
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>16</sup>T9
            [sp_atoms] => 
            [caid] => 418
            [nn] => 1
            [name] => G118
            [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: 418

Topology: 416T9

# of independent nodes (IN): 16
Transitivity: [(16)(32)(23)7]
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
416T9 (SACADA #418)3.3730.932388.5415.776.9SACADA¹
G118doi: 10.1002/cphc.201700151 
Elasticity tensor (kBar)¹

8568.65841410.14101448.0929-191.5358191.4486-107.4094
1410.14109383.9378904.6387-56.8463-483.7495-160.7792
1448.0929904.63879566.4387150.1639-478.1481-20.8326
-191.5358-56.8463150.16394478.2604-57.3602-79.3247
191.4486-483.7495-478.1481-57.36024044.20377.8444
-107.4094-160.7792-20.8326-79.32477.84444465.5778

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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