SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 705
            [topology] => 3<sup>3</sup>T5
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3432]
            [space_group] => Cmmm
            [pearson] => oS12
            [cn] => 3
            [Year] => 2001
            [cn_sort] => 003-
            [topology_str] => 3<sup>3</sup>T5
            [sp_atoms] => 
            [caid] => 157
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 2.451
            [e_gap] => 
            [energy] => 1.203
            [bulk_mod] => 144.9
            [shear_mod] => 88.2
            [vicker_hard] => 10.2
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 706
            [topology] => 3<sup>3</sup>T5
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3432]
            [space_group] => Cmmm
            [pearson] => oS12
            [cn] => 3
            [Year] => 2001
            [cn_sort] => 003-
            [topology_str] => 3<sup>3</sup>T5
            [sp_atoms] => 
            [caid] => 157
            [nn] => 1
            [name] => 6(3)3-26
            [pressure] => 
            [density] => 2.48
            [e_gap] => 0.99
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2001_ChemPhysLet_337_36
            [publ_year] => 2001
            [ref] => 
        )

)

SACADA Database Code: 157

Topology: 3³T5

# of independent nodes (IN): 3
Transitivity: [3432]
Space Group: Cmmm
Pearson: oS12
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
3³T5 (SACADA #157)		2.451		1.203	144.9	88.2	10.2	SACADA¹
6(3)3-26		2.48	0.99					doi: 10.1016/S0009-2614(01)00126-9

Elasticity tensor (kBar)¹

10206.3941	557.2014	1066.6531	0.0000	0.0000	-0.0000
557.2014	5578.6099	-19.1518	0.0000	0.0000	0.0000
1066.6531	-19.1518	7089.5799	-0.0000	-0.0000	-0.0000
0.0000	0.0000	-0.0000	1085.6097	-0.0000	0.0000
0.0000	0.0000	-0.0000	-0.0000	169.8197	-0.0000
0.0000	0.0000	-0.0000	0.0000	-0.0000	468.2430

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