SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 749
            [topology] => 3,4<sup>2</sup>T136
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3442]
            [space_group] => Cmmm
            [pearson] => oS12
            [cn] => 3, 4 (1:2)
            [Year] => 2011
            [cn_sort] => 003-004-001-002-
            [topology_str] => 3,4<sup>2</sup>T136
            [sp_atoms] => 
            [caid] => 162
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 2.984
            [e_gap] => 
            [energy] => 0.828
            [bulk_mod] => 342.4
            [shear_mod] => 254.4
            [vicker_hard] => 32.0
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 750
            [topology] => 3,4<sup>2</sup>T136
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3442]
            [space_group] => Cmmm
            [pearson] => oS12
            [cn] => 3, 4 (1:2)
            [Year] => 2011
            [cn_sort] => 003-004-001-002-
            [topology_str] => 3,4<sup>2</sup>T136
            [sp_atoms] => 
            [caid] => 162
            [nn] => 1
            [name] => 3D (3,3)
            [pressure] => 
            [density] => 3.054
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 343.91
            [shear_mod] => 283.55
            [vicker_hard] => 90.9
            [ref_file] => /References/2011_ACSNano_7226
            [publ_year] => 2011
            [ref] => 
        )

    [2] => Array
        (
            [id] => 751
            [topology] => 3,4<sup>2</sup>T136
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3442]
            [space_group] => Cmmm
            [pearson] => oS12
            [cn] => 3, 4 (1:2)
            [Year] => 2011
            [cn_sort] => 003-004-001-002-
            [topology_str] => 3,4<sup>2</sup>T136
            [sp_atoms] => 
            [caid] => 162
            [nn] => 2
            [name] => 3D (3,3)
            [pressure] => 35
            [density] => 
            [e_gap] => 1.24
            [energy] => 
            [bulk_mod] => 343.91
            [shear_mod] => 283.55
            [vicker_hard] => 90.9
            [ref_file] => /References/2013_ScientificReports_3_1331
            [publ_year] => 2013
            [ref] => 
        )

)

SACADA Database Code: 162

Topology: 3,4²T136

# of independent nodes (IN): 3
Transitivity: [3442]
Space Group: Cmmm
Pearson: oS12
Coordination Number (CN): 3, 4 (1:2)

Year: 2011

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Data

Name	Pressure, GPa	Density, g/cm³	Gap, eV	Relative energy, eV/atom	Bulk, GPa	Shear, GPa	Vickers, GPa	Refs
3,4²T136 (SACADA #162)		2.984		0.828	342.4	254.4	32.0	SACADA¹
3D (3,3)		3.054			343.91	283.55	90.9	doi: 10.1021/nn202053t
3D (3,3)	35		1.24		343.91	283.55	90.9	doi: 10.1038/srep01331

Elasticity tensor (kBar)¹

5010.8791	445.8780	1532.9213	-0.0000	0.0000	-0.0000
445.8780	11328.8018	1159.7372	-0.0000	-0.0000	-0.0000
1532.9213	1159.7372	10164.4665	0.0000	-0.0000	0.0000
-0.0000	-0.0000	0.0000	2207.8441	-0.0000	0.0000
0.0000	-0.0000	-0.0000	-0.0000	4439.9149	-0.0000
-0.0000	-0.0000	0.0000	0.0000	-0.0000	844.2812

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