xxx 
Array
(
    [0] => Array
        (
            [id] => 1175
            [topology] => 3<sup>6</sup>,4<sup>2</sup>T12
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [8(11)84]
            [space_group] => P63/mmc
            [pearson] => hP122
            [cn] => 2, 3, 4 (1:3:1)
            [Year] => 2009
            [cn_sort] => 002-003-004-001-003-001-
            [topology_str] => 3<sup>6</sup>,4<sup>2</sup>T12
            [sp_atoms] => +
            [caid] => 290
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 0.493
            [e_gap] => 
            [energy] => 0.634
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1176
            [topology] => 3<sup>6</sup>,4<sup>2</sup>T12
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [8(11)84]
            [space_group] => P63/mmc
            [pearson] => hP122
            [cn] => 2, 3, 4 (1:3:1)
            [Year] => 2009
            [cn_sort] => 002-003-004-001-003-001-
            [topology_str] => 3<sup>6</sup>,4<sup>2</sup>T12
            [sp_atoms] => +
            [caid] => 290
            [nn] => 1
            [name] => 
            [pressure] => 
            [density] => 0.45
            [e_gap] => 1.95
            [energy] => 
            [bulk_mod] => 162.2
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2009_ChemPhysLett_473_108
            [publ_year] => 2009
            [ref] => 
        )

    [2] => Array
        (
            [id] => 1177
            [topology] => 3<sup>6</sup>,4<sup>2</sup>T12
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [8(11)84]
            [space_group] => P63/mmc
            [pearson] => hP122
            [cn] => 2, 3, 4 (1:3:1)
            [Year] => 2009
            [cn_sort] => 002-003-004-001-003-001-
            [topology_str] => 3<sup>6</sup>,4<sup>2</sup>T12
            [sp_atoms] => +
            [caid] => 290
            [nn] => 2
            [name] => 
            [pressure] => 
            [density] => 0.45
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 162.2
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2010_JSuperhardMat_32_67
            [publ_year] => 2010
            [ref] => 
        )

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

SACADA Database Code: 290

Topology: 36,42T12 (Allotrope with "sp" atoms)

# of independent nodes (IN): 3
Transitivity: [8(11)84]
Space Group: P63/mmc
Pearson: hP122
Coordination Number (CN): 2, 3, 4 (1:3:1)

Year: 2009

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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
36,42T12 (SACADA #290)0.4930.634SACADA¹
0.451.95162.2doi: 10.1016/j.cplett.2009.03.033 
0.45162.2doi: 10.3103/s1063457610020012 

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 
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