xxx 
Array
(
    [0] => Array
        (
            [id] => 1189
            [topology] => 4<sup>8</sup>T12
            [link_rcsr] => 
            [in_col] => 8
            [transitivity] => [8(14)(13)7]
            [space_group] => P2/m
            [pearson] => mP16
            [cn] => 4
            [Year] => 2012
            [cn_sort] => 004-
            [topology_str] => 4<sup>8</sup>T12
            [sp_atoms] => 
            [caid] => 296
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.444
            [e_gap] => 
            [energy] => 0.752
            [bulk_mod] => 414.9
            [shear_mod] => 472.5
            [vicker_hard] => 88.9
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1190
            [topology] => 4<sup>8</sup>T12
            [link_rcsr] => 
            [in_col] => 8
            [transitivity] => [8(14)(13)7]
            [space_group] => P2/m
            [pearson] => mP16
            [cn] => 4
            [Year] => 2012
            [cn_sort] => 004-
            [topology_str] => 4<sup>8</sup>T12
            [sp_atoms] => 
            [caid] => 296
            [nn] => 1
            [name] => S-S1A2
            [pressure] => 14.4
            [density] => 3.50
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 424.1
            [shear_mod] => 
            [vicker_hard] => 82.6
            [ref_file] => /References/2012_PhysRevLet_108_135501
            [publ_year] => 2012
            [ref] => 
        )

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

SACADA Database Code: 296

Topology: 48T12

# of independent nodes (IN): 8
Transitivity: [8(14)(13)7]
Space Group: P2/m
Pearson: mP16
Coordination Number (CN): 4

Year: 2012

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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
48T12 (SACADA #296)3.4440.752414.9472.588.9SACADA¹
S-S1A214.43.50424.182.6doi: 10.1103/PhysRevLett.108.135501 
Elasticity tensor (kBar)¹

11652.48531086.5780829.4682-0.00000.0000382.3725
1086.578011575.5848227.9577-0.0000-0.0000188.5766
829.4682227.95779990.13700.0000-0.0000-271.4489
-0.0000-0.00000.00005333.6829318.83340.0000
0.0000-0.0000-0.0000318.83343818.3647-0.0000
382.3725188.5766-271.44890.0000-0.00004337.9409

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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