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Array
(
    [0] => Array
        (
            [id] => 679
            [topology] => 4<sup>2</sup>T113
            [link_rcsr] => 
            [in_col] => 2
            [transitivity] => [2784]
            [space_group] => Cccm
            [pearson] => oS32
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => 4<sup>2</sup>T113
            [caid] => 146
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.284
            [e_gap] => 
            [energy] => 0.885
            [bulk_mod] => 397.1
            [shear_mod] => 403.9
            [vicker_hard] => 73.1
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 680
            [topology] => 4<sup>2</sup>T113
            [link_rcsr] => 
            [in_col] => 2
            [transitivity] => [2784]
            [space_group] => Cccm
            [pearson] => oS32
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => 4<sup>2</sup>T113
            [caid] => 146
            [nn] => 1
            [name] => 3D (4,0)-III
            [pressure] => 35
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 398.7
            [shear_mod] => 416.3
            [vicker_hard] => 91.9
            [ref_file] => /References/2013_ScientificReports_3_1331
            [publ_year] => 2013
            [ref] => 
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General information SACADA Check your allotrope

SACADA Database Code: 146

Topology: 42T113

# of independent nodes (IN): 2
Transitivity: [2784]
Space Group: Cccm
Pearson: oS32
Coordination Number (CN): 4

Year: 2013

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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
42T113 (SACADA #146)3.2840.885397.1403.973.1SACADA¹
3D (4,0)-III35398.7416.391.9doi: 10.1038/srep01331 

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 – 2023 SCTMS  Team References support@sacada.info Cite this: Angew. Chem. Int. Ed. 2016, 55, 10962–10976 
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