xxx 
Array
(
    [0] => Array
        (
            [id] => 809
            [topology] => NSI
            [link_rcsr] => http://europe.iza-structure.org/IZA-SC/framework.php?STC=NSI
            [in_col] => 3
            [transitivity] => [3652]
            [space_group] => C2/m
            [pearson] => mS12
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => NSI
            [sp_atoms] => 
            [caid] => 179
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.293
            [e_gap] => 
            [energy] => 0.782
            [bulk_mod] => 397.9
            [shear_mod] => 420.8
            [vicker_hard] => 77.5
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 810
            [topology] => NSI
            [link_rcsr] => http://europe.iza-structure.org/IZA-SC/framework.php?STC=NSI
            [in_col] => 3
            [transitivity] => [3652]
            [space_group] => C2/m
            [pearson] => mS12
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => NSI
            [sp_atoms] => 
            [caid] => 179
            [nn] => 1
            [name] => 6B
            [pressure] => 
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2013_PhysRev_B_88_014102
            [publ_year] => 2013
            [ref] => 
        )

)
General information SACADA Check your allotrope Apps Cite this: Angew. Chem. Int. Ed. 2016, 55, 10962–10976 

SACADA Database Code: 179

Topology: NSI

# of independent nodes (IN): 3
Transitivity: [3652]
Space Group: C2/m
Pearson: mS12
Coordination Number (CN): 4

Year: 2013

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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
NSI (SACADA #179)3.2930.782397.9420.877.5SACADA¹
6Bdoi: 10.1103/PhysRevB.88.014102 
Elasticity tensor (kBar)¹

11680.5352586.4322874.39640.0000-0.0000-395.3766
586.432210817.2330765.6018-0.00000.0000-235.5830
874.3964765.60189024.1428-0.00000.0000-448.2600
0.0000-0.0000-0.00004726.8223-665.82220.0000
-0.00000.00000.0000-665.82223815.6372-0.0000
-395.3766-235.5830-448.26000.0000-0.00003113.8070

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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