SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 1083
            [topology] => 4<sup>6</sup>T6
            [link_rcsr] => 
            [in_col] => 6
            [transitivity] => [6996]
            [space_group] => Amm2
            [pearson] => oS20
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => 4<sup>6</sup>T6
            [sp_atoms] => 
            [caid] => 259
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.352
            [e_gap] => 
            [energy] => 0.757
            [bulk_mod] => 408.8
            [shear_mod] => 445.7
            [vicker_hard] => 82.9
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1084
            [topology] => 4<sup>6</sup>T6
            [link_rcsr] => 
            [in_col] => 6
            [transitivity] => [6996]
            [space_group] => Amm2
            [pearson] => oS20
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => 4<sup>6</sup>T6
            [sp_atoms] => 
            [caid] => 259
            [nn] => 1
            [name] => Amm2
            [pressure] => 24.5
            [density] => 3.303
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 84.0
            [ref_file] => /References/2013_JChemPhys_138_114101
            [publ_year] => 2013
            [ref] => 
        )

    [2] => Array
        (
            [id] => 1085
            [topology] => 4<sup>6</sup>T6
            [link_rcsr] => 
            [in_col] => 6
            [transitivity] => [6996]
            [space_group] => Amm2
            [pearson] => oS20
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => 4<sup>6</sup>T6
            [sp_atoms] => 
            [caid] => 259
            [nn] => 2
            [name] => Amm2
            [pressure] => 
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2014_EPL_Amm2_repetition
            [publ_year] => 2014
            [ref] => 
        )

)

SACADA Database Code: 259

Topology: 4⁶T6

# of independent nodes (IN): 6
Transitivity: [6996]
Space Group: Amm2
Pearson: oS20
Coordination Number (CN): 4

Year: 2013

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Data

Name	Pressure, GPa	Density, g/cm³	Gap, eV	Relative energy, eV/atom	Bulk, GPa	Shear, GPa	Vickers, GPa	Refs
4⁶T6 (SACADA #259)		3.352		0.757	408.8	445.7	82.9	SACADA¹
Amm2	24.5	3.303					84.0	doi: 10.1063/1.4794424
Amm2								doi: 10.1209/0295-5075/108/46006

Elasticity tensor (kBar)¹

11400.3922	407.1359	902.5437	0.0000	0.0000	0.0000
407.1359	11783.2348	1084.0371	-0.0000	-0.0000	0.0000
902.5437	1084.0371	8983.6914	0.0000	-0.0000	0.0000
0.0000	-0.0000	0.0000	4649.9752	-0.0000	0.0000
0.0000	-0.0000	-0.0000	-0.0000	3768.0927	-0.0000
0.0000	0.0000	0.0000	0.0000	-0.0000	4158.0601

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