SACADA 3D

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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
            [sp_atoms] => 
            [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
            [sp_atoms] => 
            [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] => 
        )

)

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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Data

Name	Pressure, GPa	Density, g/cm³	Gap, eV	Relative energy, eV/atom	Bulk, GPa	Shear, GPa	Vickers, GPa	Refs
3³T38 (SACADA #154)		1.305		0.882	-	-	-	SACADA¹
honeycomb carbon								doi: 10.1021/ci0001132

Elasticity tensor (kBar)¹

1680.3389	1705.1776	427.7687	0.0000	-0.0000	0.0000
1705.1776	1680.3389	427.7687	-0.0000	0.0000	-0.0000
427.7687	427.7687	5505.4905	0.0000	0.0000	0.0000
0.0000	-0.0000	0.0000	-12.4193	-0.0000	0.0000
-0.0000	0.0000	0.0000	-0.0000	836.4748	-0.0000
0.0000	-0.0000	0.0000	0.0000	-0.0000	836.4747

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