xxx 
Array
(
    [0] => Array
        (
            [id] => 541
            [topology] => isq
            [link_rcsr] => http://rcsr.net/nets/isq
            [in_col] => 2
            [transitivity] => [2331]
            [space_group] => P42/mnm
            [pearson] => tP12
            [cn] => 4
            [Year] => 2014
            [cn_sort] => 004-
            [topology_str] => isq
            [sp_atoms] => 
            [caid] => 102
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.099
            [e_gap] => 
            [energy] => 0.245
            [bulk_mod] => 372.5
            [shear_mod] => 374.5
            [vicker_hard] => 67.4
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 542
            [topology] => isq
            [link_rcsr] => http://rcsr.net/nets/isq
            [in_col] => 2
            [transitivity] => [2331]
            [space_group] => P42/mnm
            [pearson] => tP12
            [cn] => 4
            [Year] => 2014
            [cn_sort] => 004-
            [topology_str] => isq
            [sp_atoms] => 
            [caid] => 102
            [nn] => 1
            [name] => P42/mnm
            [pressure] => 
            [density] => 
            [e_gap] => 4.55
            [energy] => 
            [bulk_mod] => 362.6
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2014_PhysRevB_89_84112
            [publ_year] => 2014
            [ref] => 
        )

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

SACADA Database Code: 102

Topology: isq

# of independent nodes (IN): 2
Transitivity: [2331]
Space Group: P42/mnm
Pearson: tP12
Coordination Number (CN): 4

Year: 2014

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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
isq (SACADA #102)3.0990.245372.5374.567.4SACADA¹
P42/mnm4.55362.6doi: 10.1103/PhysRevB.89.184112 
Elasticity tensor (kBar)¹

8072.78831087.23961607.4622-0.0000-0.00000.0000
1087.23968072.78831607.4622-0.00000.00000.0000
1607.46221607.46228864.26000.0000-0.0000-0.0000
-0.0000-0.00000.00004655.34630.00000.0000
-0.0000-0.0000-0.00000.00003649.4482-0.0000
0.00000.0000-0.00000.0000-0.00003649.4483

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 
xxx