xxx 
Array
(
    [0] => Array
        (
            [id] => 1613
            [topology] => 4<sup>4</sup>T121
            [link_rcsr] => 
            [in_col] => 4
            [transitivity] => [4952]
            [space_group] => P2/m1
            [pearson] => mP16
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>4</sup>T121
            [sp_atoms] => 
            [caid] => 495
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.144
            [e_gap] => 
            [energy] => 0.942
            [bulk_mod] => 364.6
            [shear_mod] => 335.0
            [vicker_hard] => 56.5
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1614
            [topology] => 4<sup>4</sup>T121
            [link_rcsr] => 
            [in_col] => 4
            [transitivity] => [4952]
            [space_group] => P2/m1
            [pearson] => mP16
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>4</sup>T121
            [sp_atoms] => 
            [caid] => 495
            [nn] => 1
            [name] => G207
            [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: 495

Topology: 44T121

# of independent nodes (IN): 4
Transitivity: [4952]
Space Group: P2/m1
Pearson: mP16
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
44T121 (SACADA #495)3.1440.942364.6335.056.5SACADA¹
G207doi: 10.1002/cphc.201700151 
Elasticity tensor (kBar)¹

8832.66981028.47601234.3920-0.0000-0.0000219.8477
1028.47608320.63681619.98450.0000-0.0000-233.1571
1234.39201619.98457901.4555-0.00000.0000462.8358
-0.00000.0000-0.00003274.147629.7644-0.0000
-0.0000-0.0000-0.000029.76443906.84590.0000
219.8477-233.1571462.8358-0.0000-0.00002670.0031

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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