xxx 
Array
(
    [0] => Array
        (
            [id] => 1541
            [topology] => 4<sup>16</sup>T17
            [link_rcsr] => 
            [in_col] => 16
            [transitivity] => [(16)(32)(25)9]
            [space_group] => P1
            [pearson] => aP16
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>16</sup>T17
            [sp_atoms] => 
            [caid] => 459
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.395
            [e_gap] => 
            [energy] => 0.992
            [bulk_mod] => 378.9
            [shear_mod] => 418.1
            [vicker_hard] => 78.1
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1542
            [topology] => 4<sup>16</sup>T17
            [link_rcsr] => 
            [in_col] => 16
            [transitivity] => [(16)(32)(25)9]
            [space_group] => P1
            [pearson] => aP16
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>16</sup>T17
            [sp_atoms] => 
            [caid] => 459
            [nn] => 1
            [name] => G166
            [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: 459

Topology: 416T17

# of independent nodes (IN): 16
Transitivity: [(16)(32)(25)9]
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
416T17 (SACADA #459)3.3950.992378.9418.178.1SACADA¹
G166doi: 10.1002/cphc.201700151 
Elasticity tensor (kBar)¹

8856.63811276.58201350.368268.990611.532525.0537
1276.58208672.55001002.023872.3438-187.1840-320.0335
1350.36821002.02389347.6129-10.8146-178.3842248.6603
68.990672.3438-10.81464611.2333-72.6881102.1873
11.5325-187.1840-178.3842-72.68814079.6350-66.6622
25.0537-320.0335248.6603102.1873-66.66224542.8150

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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