SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 1587
            [topology] => 4<sup>3</sup>T184
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3663]
            [space_group] => Cmmm
            [pearson] => oS20
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>3</sup>T184
            [sp_atoms] => 
            [caid] => 482
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.383
            [e_gap] => 
            [energy] => 1.052
            [bulk_mod] => 364.7
            [shear_mod] => 423.8
            [vicker_hard] => 80.0
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1588
            [topology] => 4<sup>3</sup>T184
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3663]
            [space_group] => Cmmm
            [pearson] => oS20
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>3</sup>T184
            [sp_atoms] => 
            [caid] => 482
            [nn] => 1
            [name] => G190
            [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: 482

Topology: 4³T184

# of independent nodes (IN): 3
Transitivity: [3663]
Space Group: Cmmm
Pearson: oS20
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
4³T184 (SACADA #482)		3.383		1.052	364.7	423.8	80.0	SACADA¹
G190								doi: 10.1002/cphc.201700151

Elasticity tensor (kBar)¹

9703.2870	582.0412	708.4035	9.9904	0.6827	150.9191
582.0412	8962.8636	650.3851	-12.9100	-1.1758	-30.4039
708.4035	650.3851	10343.8882	3.3886	-1.6295	-409.3875
9.9904	-12.9100	3.3886	3998.3072	100.3978	0.2701
0.6827	-1.1758	-1.6295	100.3978	3737.9005	1.5029
150.9191	-30.4039	-409.3875	0.2701	1.5029	4507.6179

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