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Array
(
    [0] => Array
        (
            [id] => 1649
            [topology] => 4<sup>3</sup>T189
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3983]
            [space_group] => P21/m
            [pearson] => mP12
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>3</sup>T189
            [sp_atoms] => 
            [caid] => 513
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.235
            [e_gap] => 
            [energy] => 0.870
            [bulk_mod] => 375.4
            [shear_mod] => 382.2
            [vicker_hard] => 69.3
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

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            [id] => 1650
            [topology] => 4<sup>3</sup>T189
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3983]
            [space_group] => P21/m
            [pearson] => mP12
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>3</sup>T189
            [sp_atoms] => 
            [caid] => 513
            [nn] => 1
            [name] => G228
            [pressure] => 
            [density] => 
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            [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: 513

Topology: 43T189

# of independent nodes (IN): 3
Transitivity: [3983]
Space Group: P21/m
Pearson: mP12
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
43T189 (SACADA #513)3.2350.870375.4382.269.3SACADA¹
G228doi: 10.1002/cphc.201700151 
Elasticity tensor (kBar)¹

10733.3731619.3618959.50680.00000.0000374.8067
619.36189802.8250670.8158-0.00000.0000-394.1522
959.5068670.81588845.99390.00000.0000457.2172
-0.0000-0.00000.00003749.1540428.8299-0.0000
0.0000-0.00000.0000428.82993418.6244-0.0000
374.8067-394.1522457.2172-0.0000-0.00003130.7941

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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