xxx 
Array
(
    [0] => Array
        (
            [id] => 587
            [topology] => mjb
            [link_rcsr] => http://rcsr.net/nets/mjb
            [in_col] => 2
            [transitivity] => [2343]
            [space_group] => P4/mmm
            [pearson] => tP8
            [cn] => 3, 4 (1:1)
            [Year] => 2011
            [cn_sort] => 003-004-001-001-
            [topology_str] => mjb
            [caid] => 119
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 2.349
            [e_gap] => 
            [energy] => 0.848
            [bulk_mod] => 275.0
            [shear_mod] => 127.2
            [vicker_hard] => 17.2
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 588
            [topology] => mjb
            [link_rcsr] => http://rcsr.net/nets/mjb
            [in_col] => 2
            [transitivity] => [2343]
            [space_group] => P4/mmm
            [pearson] => tP8
            [cn] => 3, 4 (1:1)
            [Year] => 2011
            [cn_sort] => 003-004-001-001-
            [topology_str] => mjb
            [caid] => 119
            [nn] => 1
            [name] => 3D-(4,4)
            [pressure] => 
            [density] => 2.344
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 277.6
            [shear_mod] => 140.4
            [vicker_hard] => 79.8
            [ref_file] => /References/2011_ACSNano_7226
            [publ_year] => 2011
            [ref] => 
        )

    [2] => Array
        (
            [id] => 589
            [topology] => mjb
            [link_rcsr] => http://rcsr.net/nets/mjb
            [in_col] => 2
            [transitivity] => [2343]
            [space_group] => P4/mmm
            [pearson] => tP8
            [cn] => 3, 4 (1:1)
            [Year] => 2011
            [cn_sort] => 003-004-001-001-
            [topology_str] => mjb
            [caid] => 119
            [nn] => 2
            [name] => Squaroglitter
            [pressure] => 
            [density] => 2.32
            [e_gap] => 1.0
            [energy] => 
            [bulk_mod] => 260
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2013_JCTC_asap_Bucknum
            [publ_year] => 2013
            [ref] => 
        )

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

SACADA Database Code: 119

Topology: mjb

# of independent nodes (IN): 2
Transitivity: [2343]
Space Group: P4/mmm
Pearson: tP8
Coordination Number (CN): 3, 4 (1:1)

Year: 2011

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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
mjb (SACADA #119)2.3490.848275.0127.217.2SACADA¹
3D-(4,4)2.344277.6140.479.8doi: 10.1021/nn202053t 
Squaroglitter2.321.0260doi: 10.1021/ct4004367 
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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