SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 760
            [topology] => kgn
            [link_rcsr] => http://rcsr.net/nets/kgn
            [in_col] => 3
            [transitivity] => [3532]
            [space_group] => P432
            [pearson] => cP56
            [cn] => 3
            [Year] => 2017
            [cn_sort] => 003-
            [topology_str] => kgn
            [sp_atoms] => 
            [caid] => 167
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 1.806
            [e_gap] => 
            [energy] => 0.495
            [bulk_mod] => 191.3
            [shear_mod] => 83.9
            [vicker_hard] => 11.6
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 761
            [topology] => kgn
            [link_rcsr] => http://rcsr.net/nets/kgn
            [in_col] => 3
            [transitivity] => [3532]
            [space_group] => P432
            [pearson] => cP56
            [cn] => 3
            [Year] => 2017
            [cn_sort] => 003-
            [topology_str] => kgn
            [sp_atoms] => 
            [caid] => 167
            [nn] => 1
            [name] => kgn
            [pressure] => 
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2017_StructChem_28_113
            [publ_year] => 2017
            [ref] => 
        )

)

SACADA Database Code: 167

Topology: kgn

# of independent nodes (IN): 3
Transitivity: [3532]
Space Group: P432
Pearson: cP56
Coordination Number (CN): 3

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
kgn (SACADA #167)		1.806		0.495	191.3	83.9	11.6	SACADA¹
kgn								doi: 10.1007/s11224-016-0782-1

Elasticity tensor (kBar)¹

2717.4144	1511.3565	1511.3565	0.0000	-0.0000	0.0000
1511.3565	2717.4144	1511.3565	0.0000	0.0000	0.0000
1511.3565	1511.3565	2717.4144	-0.0000	-0.0000	0.0000
0.0000	0.0000	-0.0000	1046.6283	0.0000	-0.0000
-0.0000	0.0000	-0.0000	0.0000	1046.6283	-0.0000
0.0000	0.0000	-0.0000	-0.0000	-0.0000	1046.6283

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