xxx 
Array
(
    [0] => Array
        (
            [id] => 1159
            [topology] => 4<sup>7</sup>T11
            [link_rcsr] => 
            [in_col] => 7
            [transitivity] => [7(14)(11)3]
            [space_group] => P21/c
            [pearson] => mP28
            [cn] => 4
            [Year] => 2014
            [cn_sort] => 004-
            [topology_str] => 4<sup>7</sup>T11
            [sp_atoms] => 
            [caid] => 283
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.200
            [e_gap] => 
            [energy] => 1.261
            [bulk_mod] => 352.4
            [shear_mod] => 316.1
            [vicker_hard] => 52.0
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1160
            [topology] => 4<sup>7</sup>T11
            [link_rcsr] => 
            [in_col] => 7
            [transitivity] => [7(14)(11)3]
            [space_group] => P21/c
            [pearson] => mP28
            [cn] => 4
            [Year] => 2014
            [cn_sort] => 004-
            [topology_str] => 4<sup>7</sup>T11
            [sp_atoms] => 
            [caid] => 283
            [nn] => 1
            [name] => iceV-carbon
            [pressure] => 
            [density] => 3.15
            [e_gap] => 3.78
            [energy] => 
            [bulk_mod] => 333.8
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2014_JPCC_27502_Ice_Carbon
            [publ_year] => 2014
            [ref] => 
        )

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

SACADA Database Code: 283

Topology: 47T11

# of independent nodes (IN): 7
Transitivity: [7(14)(11)3]
Space Group: P21/c
Pearson: mP28
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
47T11 (SACADA #283)3.2001.261352.4316.152.0SACADA¹
iceV-carbon3.153.78333.8doi: 10.1021/jp5080048 
Elasticity tensor (kBar)¹

7138.33321071.84691652.5428-0.00000.0000-183.6733
1071.84697161.01631861.90770.0000-0.0000-59.2530
1652.54281861.90778467.5428-0.00000.0000559.4072
-0.0000-0.0000-0.00002983.3283176.57550.0000
0.0000-0.0000-0.0000176.57553641.6068-0.0000
-183.6733-59.2530559.40720.00000.00003186.7812

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 – 2025 SCTMS  Team References support@sacada.info Cite this: Angew. Chem. Int. Ed. 2016, 55, 10962–10976 
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