SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 1635
            [topology] => 4<sup>3</sup>T188
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3861]
            [space_group] => Ama2
            [pearson] => oS24
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>3</sup>T188
            [sp_atoms] => 
            [caid] => 506
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.126
            [e_gap] => 
            [energy] => 0.945
            [bulk_mod] => 350.8
            [shear_mod] => 330.8
            [vicker_hard] => 57.1
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1636
            [topology] => 4<sup>3</sup>T188
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3861]
            [space_group] => Ama2
            [pearson] => oS24
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>3</sup>T188
            [sp_atoms] => 
            [caid] => 506
            [nn] => 1
            [name] => G219
            [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: 506

Topology: 4³T188

# of independent nodes (IN): 3
Transitivity: [3861]
Space Group: Ama2
Pearson: oS24
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
4³T188 (SACADA #506)		3.126		0.945	350.8	330.8	57.1	SACADA¹
G219								doi: 10.1002/cphc.201700151

Elasticity tensor (kBar)¹

7072.9456	850.9911	1790.1156	0.0000	-0.0000	0.0000
850.9911	8295.3114	768.1981	-0.0000	0.0000	0.0000
1790.1156	768.1981	9650.4646	0.0000	0.0000	0.0000
0.0000	-0.0000	0.0000	2930.5636	0.0000	0.0000
-0.0000	0.0000	0.0000	0.0000	3058.7931	-0.0000
0.0000	0.0000	0.0000	0.0000	-0.0000	3497.4265

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