xxx 
Array
(
    [0] => Array
        (
            [id] => 1511
            [topology] => 4<sup>6</sup>T36
            [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>T36
            [sp_atoms] => 
            [caid] => 444
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.320
            [e_gap] => 
            [energy] => 1.160
            [bulk_mod] => 368.0
            [shear_mod] => 382.8
            [vicker_hard] => 70.0
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1512
            [topology] => 4<sup>6</sup>T36
            [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>T36
            [sp_atoms] => 
            [caid] => 444
            [nn] => 1
            [name] => G150
            [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 Apps Cite this: Angew. Chem. Int. Ed. 2016, 55, 10962–10976 

SACADA Database Code: 444

Topology: 46T36

# 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
46T36 (SACADA #444)3.3201.160368.0382.870.0SACADA¹
G150doi: 10.1002/cphc.201700151 
Elasticity tensor (kBar)¹

8805.3642889.84211101.41180.0000-0.0000-318.8340
889.84218493.12901408.3293-0.0000-0.0000162.3930
1101.41181408.32939052.1982-0.0000-0.0000-300.9576
0.0000-0.0000-0.00003567.0082-542.7176-0.0000
-0.0000-0.0000-0.0000-542.71764049.90240.0000
-318.8340162.3930-300.9576-0.00000.00003894.5719

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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