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Array
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    [0] => Array
        (
            [id] => 1389
            [topology] => 4<sup>6</sup>T33
            [link_rcsr] => 
            [in_col] => 6
            [transitivity] => [6(12)71]
            [space_group] => P21
            [pearson] => mP12
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>6</sup>T33
            [sp_atoms] => 
            [caid] => 383
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.268
            [e_gap] => 
            [energy] => 0.977
            [bulk_mod] => 369.4
            [shear_mod] => 383.1
            [vicker_hard] => 70.0
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

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            [id] => 1390
            [topology] => 4<sup>6</sup>T33
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            [pearson] => mP12
            [cn] => 4
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            [cn_sort] => 004-
            [topology_str] => 4<sup>6</sup>T33
            [sp_atoms] => 
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            [nn] => 1
            [name] => G64
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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 Apps Cite this: Angew. Chem. Int. Ed. 2016, 55, 10962–10976 

SACADA Database Code: 383

Topology: 46T33

# of independent nodes (IN): 6
Transitivity: [6(12)71]
Space Group: P21
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
46T33 (SACADA #383)3.2680.977369.4383.170.0SACADA¹
G64doi: 10.1002/cphc.201700151 
Elasticity tensor (kBar)¹

9115.56291809.47011154.07180.0000-0.0000-345.3024
1809.47017980.1752712.6923-0.00000.0000588.8658
1154.0718712.69238893.80460.0000-0.0000-755.9309
-0.0000-0.00000.00004105.6086131.92270.0000
-0.00000.00000.0000131.92273833.4747-0.0000
-345.3024588.8658-755.93090.0000-0.00003841.8547

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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