xxx 
Array
(
    [0] => Array
        (
            [id] => 1653
            [topology] => 4<sup>4</sup>T125
            [link_rcsr] => 
            [in_col] => 4
            [transitivity] => [4951]
            [space_group] => P2/m1
            [pearson] => mP16
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>4</sup>T125
            [sp_atoms] => 
            [caid] => 515
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.431
            [e_gap] => 
            [energy] => 0.785
            [bulk_mod] => 407.5
            [shear_mod] => 456.8
            [vicker_hard] => 85.6
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1654
            [topology] => 4<sup>4</sup>T125
            [link_rcsr] => 
            [in_col] => 4
            [transitivity] => [4951]
            [space_group] => P2/m1
            [pearson] => mP16
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>4</sup>T125
            [sp_atoms] => 
            [caid] => 515
            [nn] => 1
            [name] => G230
            [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: 515

Topology: 44T125

# of independent nodes (IN): 4
Transitivity: [4951]
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
44T125 (SACADA #515)3.4310.785407.5456.885.6SACADA¹
G230doi: 10.1002/cphc.201700151 
Elasticity tensor (kBar)¹

10439.24001331.3578759.84370.00000.0000-91.0916
1331.35789121.68041469.64680.0000-0.00004.3780
759.84371469.646810005.7810-0.0000-0.0000374.4201
0.00000.0000-0.00005291.440733.2237-0.0000
0.00000.0000-0.000033.22374503.52610.0000
-91.09164.3780374.4201-0.0000-0.00004480.3806

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 
xxx