xxx 
Array
(
    [0] => Array
        (
            [id] => 1279
            [topology] => 4<sup>14</sup>T1
            [link_rcsr] => 
            [in_col] => 14
            [transitivity] => [(14)(21)(19)(12)]
            [space_group] => Pm
            [pearson] => mP14
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => 4<sup>14</sup>T1
            [sp_atoms] => 
            [caid] => 334
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.420
            [e_gap] => 
            [energy] => 0.674
            [bulk_mod] => 410.1
            [shear_mod] => 469.1
            [vicker_hard] => 88.3
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1280
            [topology] => 4<sup>14</sup>T1
            [link_rcsr] => 
            [in_col] => 14
            [transitivity] => [(14)(21)(19)(12)]
            [space_group] => Pm
            [pearson] => mP14
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => 4<sup>14</sup>T1
            [sp_atoms] => 
            [caid] => 334
            [nn] => 1
            [name] => 14B
            [pressure] => 20
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2013_PhysRev_B_88_014102
            [publ_year] => 2013
            [ref] => 
        )

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

SACADA Database Code: 334

Topology: 414T1

# of independent nodes (IN): 14
Transitivity: [(14)(21)(19)(12)]
Space Group: Pm
Pearson: mP14
Coordination Number (CN): 4

Year: 2013

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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
414T1 (SACADA #334)3.4200.674410.1469.188.3SACADA¹
14B20doi: 10.1103/PhysRevB.88.014102 
Elasticity tensor (kBar)¹

10302.5281908.9425757.6571-0.0000-0.000093.7751
908.942511107.2815378.9503-0.0000-0.0000-115.9269
757.6571378.950311420.86330.00000.0000-61.5858
-0.0000-0.00000.00004894.6901-143.2175-0.0000
-0.0000-0.00000.0000-143.21754480.05800.0000
93.7751-115.9269-61.5858-0.00000.00003954.1475

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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