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Array
(
    [0] => Array
        (
            [id] => 813
            [topology] => cas
            [link_rcsr] => http://rcsr.net/nets/cas
            [in_col] => 3
            [transitivity] => [3653]
            [space_group] => Cmcm
            [pearson] => oS24
            [cn] => 4
            [Year] => 2016
            [cn_sort] => 004-
            [topology_str] => cas
            [caid] => 181
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.270
            [e_gap] => 
            [energy] => 0.245
            [bulk_mod] => 392.5
            [shear_mod] => 408.0
            [vicker_hard] => 74.6
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 814
            [topology] => cas
            [link_rcsr] => http://rcsr.net/nets/cas
            [in_col] => 3
            [transitivity] => [3653]
            [space_group] => Cmcm
            [pearson] => oS24
            [cn] => 4
            [Year] => 2016
            [cn_sort] => 004-
            [topology_str] => cas
            [caid] => 181
            [nn] => 1
            [name] => C<sub>CAS</sub>
            [pressure] => 
            [density] => 3.27
            [e_gap] => 3.18
            [energy] => 
            [bulk_mod] => 407.0
            [shear_mod] => 
            [vicker_hard] => 89.2
            [ref_file] => /References/2016_JAppPhys_120_165101
            [publ_year] => 2016
            [ref] => 
        )

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

SACADA Database Code: 181

Topology: cas

# of independent nodes (IN): 3
Transitivity: [3653]
Space Group: Cmcm
Pearson: oS24
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
cas (SACADA #181)3.2700.245392.5408.074.6SACADA¹
CCAS3.273.18407.089.2doi: 10.1063/1.4965721 
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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