xxx 
Array
(
    [0] => Array
        (
            [id] => 805
            [topology] => 3,4<sup>2</sup>T242
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3566]
            [space_group] => P4/mbm
            [pearson] => tP20
            [cn] => 3, 4 (1:4)
            [Year] => 2016
            [cn_sort] => 003-004-001-004-
            [topology_str] => 3,4<sup>2</sup>T242
            [sp_atoms] => 
            [caid] => 177
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 2.919
            [e_gap] => 
            [energy] => 0.540
            [bulk_mod] => 327.6
            [shear_mod] => 295.9
            [vicker_hard] => 49.1
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 806
            [topology] => 3,4<sup>2</sup>T242
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3566]
            [space_group] => P4/mbm
            [pearson] => tP20
            [cn] => 3, 4 (1:4)
            [Year] => 2016
            [cn_sort] => 003-004-001-004-
            [topology_str] => 3,4<sup>2</sup>T242
            [sp_atoms] => 
            [caid] => 177
            [nn] => 1
            [name] => C<sub>20</sub>-D
            [pressure] => 
            [density] => 2.97
            [e_gap] => 1.26
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2016_Carbon_109_246
            [publ_year] => 2016
            [ref] => 
        )

)
General information SACADA Check your allotrope Cite this: Angew. Chem. Int. Ed. 2016, 55, 10962–10976 

SACADA Database Code: 177

Topology: 3,42T242

# of independent nodes (IN): 3
Transitivity: [3566]
Space Group: P4/mbm
Pearson: tP20
Coordination Number (CN): 3, 4 (1:4)

Year: 2016

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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
3,42T242 (SACADA #177)2.9190.540327.6295.949.1SACADA¹
C20-D2.971.26doi: 10.1016/j.carbon.2016.08.015 
Elasticity tensor (kBar)¹

5565.55312904.3856332.47710.0000-0.00000.0000
2904.38565565.5531332.4771-0.00000.0000-0.0000
332.4771332.477111616.18950.0000-0.0000-0.0000
0.0000-0.0000-0.00003716.8809-0.0000-0.0000
-0.00000.0000-0.0000-0.00003069.08630.0000
0.0000-0.0000-0.0000-0.0000-0.00003069.0864

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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