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Array
(
    [0] => Array
        (
            [id] => 699
            [topology] => 3<sup>3</sup>T38
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3333]
            [space_group] => P6/mmm
            [pearson] => hP14
            [cn] => 3
            [Year] => 2001
            [cn_sort] => 003-
            [topology_str] => 3<sup>3</sup>T38
            [caid] => 154
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 1.305
            [e_gap] => 
            [energy] => 0.882
            [bulk_mod] => -
            [shear_mod] => -
            [vicker_hard] => -
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 700
            [topology] => 3<sup>3</sup>T38
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3333]
            [space_group] => P6/mmm
            [pearson] => hP14
            [cn] => 3
            [Year] => 2001
            [cn_sort] => 003-
            [topology_str] => 3<sup>3</sup>T38
            [caid] => 154
            [nn] => 1
            [name] => honeycomb carbon
            [pressure] => 
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2001_JChemInfCompSci_41_451
            [publ_year] => 2001
            [ref] => 
        )

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

SACADA Database Code: 154

Topology: 33T38

# of independent nodes (IN): 3
Transitivity: [3333]
Space Group: P6/mmm
Pearson: hP14
Coordination Number (CN): 3

Year: 2001

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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
33T38 (SACADA #154)1.3050.882---SACADA¹
honeycomb carbondoi: 10.1021/ci0001132 
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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