SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 547
            [topology] => jeb
            [link_rcsr] => http://rcsr.net/nets/jeb
            [in_col] => 2
            [transitivity] => [2332]
            [space_group] => Cmmm
            [pearson] => oS8
            [cn] => 3, 4 (1:1)
            [Year] => 2012
            [cn_sort] => 003-004-001-001-
            [topology_str] => jeb
            [sp_atoms] => 
            [caid] => 105
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.074
            [e_gap] => 
            [energy] => 0.904
            [bulk_mod] => 334.9
            [shear_mod] => 200.9
            [vicker_hard] => 23.3
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 548
            [topology] => jeb
            [link_rcsr] => http://rcsr.net/nets/jeb
            [in_col] => 2
            [transitivity] => [2332]
            [space_group] => Cmmm
            [pearson] => oS8
            [cn] => 3, 4 (1:1)
            [Year] => 2012
            [cn_sort] => 003-004-001-001-
            [topology_str] => jeb
            [sp_atoms] => 
            [caid] => 105
            [nn] => 1
            [name] => isoglitter
            [pressure] => 
            [density] => 3.009
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2012_JMathChem_50_2281_2290
            [publ_year] => 2012
            [ref] => 
        )

)

SACADA Database Code: 105

Topology: jeb

# of independent nodes (IN): 2
Transitivity: [2332]
Space Group: Cmmm
Pearson: oS8
Coordination Number (CN): 3, 4 (1:1)

Year: 2012

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Data

Name	Pressure, GPa	Density, g/cm³	Gap, eV	Relative energy, eV/atom	Bulk, GPa	Shear, GPa	Vickers, GPa	Refs
jeb (SACADA #105)		3.074		0.904	334.9	200.9	23.3	SACADA¹
isoglitter		3.009						doi: 10.1007/s10910-012-0030-x

Elasticity tensor (kBar)¹

4836.0412	275.6034	642.2201	0.0000	0.0000	0.0000
275.6034	11688.1608	1769.8239	0.0000	-0.0000	-0.0000
642.2201	1769.8239	11226.1288	0.0000	-0.0000	0.0000
0.0000	0.0000	0.0000	1146.1682	0.0000	0.0000
0.0000	-0.0000	-0.0000	0.0000	5052.7249	-0.0000
0.0000	-0.0000	0.0000	0.0000	-0.0000	315.6251

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