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Array
(
    [0] => Array
        (
            [id] => 1561
            [topology] => 4<sup>16</sup>T22
            [link_rcsr] => 
            [in_col] => 16
            [transitivity] => [(16)(32)(23)7]
            [space_group] => P1
            [pearson] => aP16
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>16</sup>T22
            [sp_atoms] => 
            [caid] => 469
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.339
            [e_gap] => 
            [energy] => 0.843
            [bulk_mod] => 390.5
            [shear_mod] => 419.3
            [vicker_hard] => 77.6
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1562
            [topology] => 4<sup>16</sup>T22
            [link_rcsr] => 
            [in_col] => 16
            [transitivity] => [(16)(32)(23)7]
            [space_group] => P1
            [pearson] => aP16
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>16</sup>T22
            [sp_atoms] => 
            [caid] => 469
            [nn] => 1
            [name] => G177
            [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: 469

Topology: 416T22

# of independent nodes (IN): 16
Transitivity: [(16)(32)(23)7]
Space Group: P1
Pearson: aP16
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
416T22 (SACADA #469)3.3390.843390.5419.377.6SACADA¹
G177doi: 10.1002/cphc.201700151 
Elasticity tensor (kBar)¹

9204.29261115.1374907.4248-490.41764.7245134.5866
1115.13749331.41741493.7950-85.3223-332.2056-14.1009
907.42481493.79509605.5081-97.723735.9420145.9004
-490.4176-85.3223-97.72374090.1757-49.9166-123.0427
4.7245-332.205635.9420-49.91664630.6527-163.7467
134.5866-14.1009145.9004-123.0427-163.74674083.6243

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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