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Array
(
    [0] => Array
        (
            [id] => 1529
            [topology] => 4<sup>16</sup>T13
            [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>T13
            [sp_atoms] => 
            [caid] => 453
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.284
            [e_gap] => 
            [energy] => 1.052
            [bulk_mod] => 362.9
            [shear_mod] => 362.9
            [vicker_hard] => 65.1
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1530
            [topology] => 4<sup>16</sup>T13
            [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>T13
            [sp_atoms] => 
            [caid] => 453
            [nn] => 1
            [name] => G160
            [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: 453

Topology: 416T13

# 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
416T13 (SACADA #453)3.2841.052362.9362.965.1SACADA¹
G160doi: 10.1002/cphc.201700151 
Elasticity tensor (kBar)¹

10356.5502936.7837711.2902-35.843994.9046-89.1683
936.78377917.70711177.8045193.328473.0614-462.5958
711.29021177.80458868.916344.0826-544.7892190.9488
-35.8439193.328444.08263204.3872-42.6381118.5910
94.904673.0614-544.7892-42.63813334.7943187.7942
-89.1683-462.5958190.9488118.5910187.79423689.4707

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 – 2024 SCTMS  Team References support@sacada.info Cite this: Angew. Chem. Int. Ed. 2016, 55, 10962–10976 
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