SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 697
            [topology] => 4<sup>3</sup>T82
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3332]
            [space_group] => I-4m2
            [pearson] => tI12
            [cn] => 4
            [Year] => 2001
            [cn_sort] => 004-
            [topology_str] => 4<sup>3</sup>T82
            [sp_atoms] => 
            [caid] => 153
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.064
            [e_gap] => 
            [energy] => 1.614
            [bulk_mod] => 336.0
            [shear_mod] => 290.5
            [vicker_hard] => 45.8
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 698
            [topology] => 4<sup>3</sup>T82
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3332]
            [space_group] => I-4m2
            [pearson] => tI12
            [cn] => 4
            [Year] => 2001
            [cn_sort] => 004-
            [topology_str] => 4<sup>3</sup>T82
            [sp_atoms] => 
            [caid] => 153
            [nn] => 1
            [name] => 6(3)5-09
            [pressure] => 
            [density] => 3.10
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2001_ChemPhysLet_337_36
            [publ_year] => 2001
            [ref] => 
        )

)

SACADA Database Code: 153

Topology: 4³T82

# of independent nodes (IN): 3
Transitivity: [3332]
Space Group: I-4m2
Pearson: tI12
Coordination Number (CN): 4

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
4³T82 (SACADA #153)		3.064		1.614	336.0	290.5	45.8	SACADA¹
6(3)5-09		3.10						doi: 10.1016/S0009-2614(01)00126-9

Elasticity tensor (kBar)¹

6961.1367	1655.1333	1569.8497	-789.7809	1.6587	3.8313
1655.1333	7282.1551	803.8609	1014.1803	3.3393	-3.9178
1569.8497	803.8609	7958.2823	-465.3812	0.6049	3.8473
-789.7809	1014.1803	-465.3812	3058.9530	-1.8514	4.4988
1.6587	3.3393	0.6049	-1.8514	2279.4030	-625.6604
3.8313	-3.9178	3.8473	4.4988	-625.6604	3301.3604

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