xxx 
Array
(
    [0] => Array
        (
            [id] => 1113
            [topology] => 4<sup>6</sup>T13
            [link_rcsr] => 
            [in_col] => 6
            [transitivity] => [6(13)(15)(11)]
            [space_group] => Pmmn
            [pearson] => oP24
            [cn] => 4
            [Year] => 2012
            [cn_sort] => 004-
            [topology_str] => 4<sup>6</sup>T13
            [sp_atoms] => 
            [caid] => 268
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.481
            [e_gap] => 
            [energy] => 0.662
            [bulk_mod] => 436.9
            [shear_mod] => 492.5
            [vicker_hard] => 92.4
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1114
            [topology] => 4<sup>6</sup>T13
            [link_rcsr] => 
            [in_col] => 6
            [transitivity] => [6(13)(15)(11)]
            [space_group] => Pmmn
            [pearson] => oP24
            [cn] => 4
            [Year] => 2012
            [cn_sort] => 004-
            [topology_str] => 4<sup>6</sup>T13
            [sp_atoms] => 
            [caid] => 268
            [nn] => 1
            [name] => B-B1AL0R4
            [pressure] => 6.7
            [density] => 3.54
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 454.9
            [shear_mod] => 502.3
            [vicker_hard] => 82.4
            [ref_file] => /References/2012_PhysRevLet_108_135501
            [publ_year] => 2012
            [ref] => 
        )

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

SACADA Database Code: 268

Topology: 46T13

# of independent nodes (IN): 6
Transitivity: [6(13)(15)(11)]
Space Group: Pmmn
Pearson: oP24
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
46T13 (SACADA #268)3.4810.662436.9492.592.4SACADA¹
B-B1AL0R46.73.54454.9502.382.4doi: 10.1103/PhysRevLett.108.135501 
Elasticity tensor (kBar)¹

12196.5910305.1095984.07290.0000-0.00000.0000
305.109511844.3802723.8904-0.0000-0.0000-0.0000
984.0729723.890411266.1545-0.00000.0000-0.0000
0.0000-0.0000-0.00004607.0505-0.0000-0.0000
-0.0000-0.00000.0000-0.00003925.2003-0.0000
0.0000-0.0000-0.0000-0.0000-0.00005227.5367

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 – 2026 SCTMS  Team References support@sacada.info Cite this: Angew. Chem. Int. Ed. 2016, 55, 10962–10976 
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