SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 1633
            [topology] => 4<sup>3</sup>T141
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3663]
            [space_group] => Fmmm
            [pearson] => oF48
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>3</sup>T141
            [sp_atoms] => 
            [caid] => 505
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.246
            [e_gap] => 
            [energy] => 0.749
            [bulk_mod] => 383.8
            [shear_mod] => 413.3
            [vicker_hard] => 76.6
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1634
            [topology] => 4<sup>3</sup>T141
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3663]
            [space_group] => Fmmm
            [pearson] => oF48
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>3</sup>T141
            [sp_atoms] => 
            [caid] => 505
            [nn] => 1
            [name] => G218
            [pressure] => 
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2017_ChemPhysChem_18_873
            [publ_year] => 2017
            [ref] => 
        )

)

SACADA Database Code: 505

Topology: 4³T141

# of independent nodes (IN): 3
Transitivity: [3663]
Space Group: Fmmm
Pearson: oF48
Coordination Number (CN): 4

Year: 2017

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Data

Name	Pressure, GPa	Density, g/cm³	Gap, eV	Relative energy, eV/atom	Bulk, GPa	Shear, GPa	Vickers, GPa	Refs
4³T141 (SACADA #505)		3.246		0.749	383.8	413.3	76.6	SACADA¹
G218								doi: 10.1002/cphc.201700151

Elasticity tensor (kBar)¹

10609.8971	43.8110	1508.9578	0.0000	0.0000	0.0000
43.8110	9329.5399	1300.8043	-0.0000	0.0000	-0.0000
1508.9578	1300.8043	8955.4360	-0.0000	0.0000	-0.0000
0.0000	-0.0000	0.0000	3760.6494	-0.0000	0.0000
0.0000	0.0000	0.0000	-0.0000	4186.5791	-0.0000
0.0000	-0.0000	-0.0000	0.0000	-0.0000	4157.5573

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