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Array
(
    [0] => Array
        (
            [id] => 1362
            [topology] => bcq
            [link_rcsr] => http://rcsr.net/nets/bcq
            [in_col] => 2
            [transitivity] => [2442]
            [space_group] => Fmmm
            [pearson] => oF24
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => bcq
            [caid] => 370
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.296
            [e_gap] => 
            [energy] => 0.901
            [bulk_mod] => 383.5
            [shear_mod] => 402.8
            [vicker_hard] => 74.0
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1363
            [topology] => bcq
            [link_rcsr] => http://rcsr.net/nets/bcq
            [in_col] => 2
            [transitivity] => [2442]
            [space_group] => Fmmm
            [pearson] => oF24
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => bcq
            [caid] => 370
            [nn] => 1
            [name] => G28
            [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: 370

Topology: bcq

# of independent nodes (IN): 2
Transitivity: [2442]
Space Group: Fmmm
Pearson: oF24
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
bcq (SACADA #370)3.2960.901383.5402.874.0SACADA¹
G28doi: 10.1002/cphc.201700151 
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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