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Array
(
    [0] => Array
        (
            [id] => 677
            [topology] => 4<sup>2</sup>T257
            [link_rcsr] => 
            [in_col] => 2
            [transitivity] => [2773]
            [space_group] => P6/mcc
            [pearson] => hP48
            [cn] => 4
            [Year] => 2016
            [cn_sort] => 004-
            [topology_str] => 4<sup>2</sup>T257
            [caid] => 145
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 2.899
            [e_gap] => 
            [energy] => 0.589
            [bulk_mod] => 317.5
            [shear_mod] => 254.9
            [vicker_hard] => 36.1
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 678
            [topology] => 4<sup>2</sup>T257
            [link_rcsr] => 
            [in_col] => 2
            [transitivity] => [2773]
            [space_group] => P6/mcc
            [pearson] => hP48
            [cn] => 4
            [Year] => 2016
            [cn_sort] => 004-
            [topology_str] => 4<sup>2</sup>T257
            [caid] => 145
            [nn] => 1
            [name] => 3060-carbon
            [pressure] => 
            [density] => 2.855
            [e_gap] => 3.68
            [energy] => 
            [bulk_mod] => 307
            [shear_mod] => 259
            [vicker_hard] => 39
            [ref_file] => /References/2016_AIP_advances_6_065225
            [publ_year] => 2016
            [ref] => 
        )

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

SACADA Database Code: 145

Topology: 42T257

# of independent nodes (IN): 2
Transitivity: [2773]
Space Group: P6/mcc
Pearson: hP48
Coordination Number (CN): 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
42T257 (SACADA #145)2.8990.589317.5254.936.1SACADA¹
3060-carbon2.8553.6830725939doi: 10.1063/1.4955055 
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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