xxx 
Array
(
    [0] => Array
        (
            [id] => 1505
            [topology] => 4<sup>3</sup>T179
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3753]
            [space_group] => C2/m
            [pearson] => mS16
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>3</sup>T179
            [sp_atoms] => 
            [caid] => 441
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.151
            [e_gap] => 
            [energy] => 0.936
            [bulk_mod] => 363.5
            [shear_mod] => 336.1
            [vicker_hard] => 57.0
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1506
            [topology] => 4<sup>3</sup>T179
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3753]
            [space_group] => C2/m
            [pearson] => mS16
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>3</sup>T179
            [sp_atoms] => 
            [caid] => 441
            [nn] => 1
            [name] => G146
            [pressure] => 
            [density] => 
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            [energy] => 
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            [vicker_hard] => 
            [ref_file] => /References/2017_ChemPhysChem_18_873
            [publ_year] => 2017
            [ref] => 
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)
General information SACADA Check your allotrope Cite this: Angew. Chem. Int. Ed. 2016, 55, 10962–10976 

SACADA Database Code: 441

Topology: 43T179

# of independent nodes (IN): 3
Transitivity: [3753]
Space Group: C2/m
Pearson: mS16
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
43T179 (SACADA #441)3.1510.936363.5336.157.0SACADA¹
G146doi: 10.1002/cphc.201700151 
Elasticity tensor (kBar)¹

9615.6276877.61391043.9555-0.0000-0.0000-36.7656
877.61398533.69031340.5217-0.00000.0000-163.4076
1043.95551340.52178070.8135-0.00000.0000-471.2015
0.0000-0.0000-0.00003376.2304-112.4290-0.0000
-0.00000.00000.0000-112.42902244.88690.0000
-36.7656-163.4076-471.2015-0.00000.00003930.7834

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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