xxx 
Array
(
    [0] => Array
        (
            [id] => 1358
            [topology] => noq
            [link_rcsr] => http://rcsr.net/nets/noq
            [in_col] => 2
            [transitivity] => [2441]
            [space_group] => C2/c
            [pearson] => mS12
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => noq
            [sp_atoms] => 
            [caid] => 368
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.186
            [e_gap] => 
            [energy] => 1.119
            [bulk_mod] => 349.9
            [shear_mod] => 334.2
            [vicker_hard] => 58.2
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1359
            [topology] => noq
            [link_rcsr] => http://rcsr.net/nets/noq
            [in_col] => 2
            [transitivity] => [2441]
            [space_group] => C2/c
            [pearson] => mS12
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => noq
            [sp_atoms] => 
            [caid] => 368
            [nn] => 1
            [name] => G26
            [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: 368

Topology: noq

# of independent nodes (IN): 2
Transitivity: [2441]
Space Group: C2/c
Pearson: mS12
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
noq (SACADA #368)3.1861.119349.9334.258.2SACADA¹
G26doi: 10.1002/cphc.201700151 
Elasticity tensor (kBar)¹

8841.29791866.00721236.0813-0.00000.0000114.0756
1866.00726225.6936708.41060.0000-0.0000445.1710
1236.0813708.41069286.14520.0000-0.0000-931.4036
-0.00000.00000.00002760.3528-140.2504-0.0000
0.0000-0.0000-0.0000-140.25043113.10840.0000
114.0756445.1710-931.4036-0.00000.00004350.9836

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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