xxx 
Array
(
    [0] => Array
        (
            [id] => 1531
            [topology] => 4<sup>16</sup>T14
            [link_rcsr] => 
            [in_col] => 16
            [transitivity] => [(16)(32)(19)3]
            [space_group] => P1
            [pearson] => aP16
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>16</sup>T14
            [sp_atoms] => 
            [caid] => 454
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.384
            [e_gap] => 
            [energy] => 0.974
            [bulk_mod] => 387.2
            [shear_mod] => 416.4
            [vicker_hard] => 77.1
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1532
            [topology] => 4<sup>16</sup>T14
            [link_rcsr] => 
            [in_col] => 16
            [transitivity] => [(16)(32)(19)3]
            [space_group] => P1
            [pearson] => aP16
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>16</sup>T14
            [sp_atoms] => 
            [caid] => 454
            [nn] => 1
            [name] => G161
            [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: 454

Topology: 416T14

# of independent nodes (IN): 16
Transitivity: [(16)(32)(19)3]
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
416T14 (SACADA #454)3.3840.974387.2416.477.1SACADA¹
G161doi: 10.1002/cphc.201700151 
Elasticity tensor (kBar)¹

8868.81371532.53481200.8755-111.1661259.4560-186.8678
1532.53488346.22651222.4556-186.6543-646.6809-20.4081
1200.87551222.45569904.7937-215.8278-692.9793-67.6695
-111.1661-186.6543-215.82784289.729024.0199-122.4143
259.4560-646.6809-692.979324.01994429.9299-69.5229
-186.8678-20.4081-67.6695-122.4143-69.52294558.8712

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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