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Array
(
    [0] => Array
        (
            [id] => 387
            [topology] => crb
            [link_rcsr] => 
            [in_col] => 1
            [transitivity] => [1232]
            [space_group] => I4/mmm
            [pearson] => tI24
            [cn] => 2, 4 (2:1)
            [Year] => 2013
            [cn_sort] => 002-004-002-001-
            [topology_str] => crb
            [caid] => 62
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 1.650
            [e_gap] => 
            [energy] => 1.015
            [bulk_mod] => 114.8
            [shear_mod] => 45.4
            [vicker_hard] => 6.6
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 388
            [topology] => crb
            [link_rcsr] => 
            [in_col] => 1
            [transitivity] => [1232]
            [space_group] => I4/mmm
            [pearson] => tI24
            [cn] => 2, 4 (2:1)
            [Year] => 2013
            [cn_sort] => 002-004-002-001-
            [topology_str] => crb
            [caid] => 62
            [nn] => 1
            [name] => 2-Yne
            [pressure] => 
            [density] => 
            [e_gap] => 2.646
            [energy] => 
            [bulk_mod] => 71.7
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2013_SolidStateCommunications_169_50_56
            [publ_year] => 2013
            [ref] => 
        )

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

SACADA Database Code: 62

Topology: crb

# of independent nodes (IN): 1
Transitivity: [1232]
Space Group: I4/mmm
Pearson: tI24
Coordination Number (CN): 2, 4 (2:1)

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
crb (SACADA #62)1.6501.015114.845.46.6SACADA¹
2-Yne2.64671.7doi: 10.1016/j.ssc.2013.07.001 
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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