SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 1354
            [topology] => 4<sup>3</sup>T170
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3664]
            [space_group] => Imma
            [pearson] => oI20
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>3</sup>T170
            [sp_atoms] => 
            [caid] => 366
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.344
            [e_gap] => 
            [energy] => 0.794
            [bulk_mod] => 382.9
            [shear_mod] => 432.1
            [vicker_hard] => 81.1
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1355
            [topology] => 4<sup>3</sup>T170
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3664]
            [space_group] => Imma
            [pearson] => oI20
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>3</sup>T170
            [sp_atoms] => 
            [caid] => 366
            [nn] => 1
            [name] => G22
            [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: 366

Topology: 4³T170

# of independent nodes (IN): 3
Transitivity: [3664]
Space Group: Imma
Pearson: oI20
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
4³T170 (SACADA #366)		3.344		0.794	382.9	432.1	81.1	SACADA¹
G22								doi: 10.1002/cphc.201700151

Elasticity tensor (kBar)¹

10917.6766	73.6796	1068.6332	-0.0000	-0.0000	0.0000
73.6796	11811.2797	183.9960	0.0000	-0.0000	-0.0000
1068.6332	183.9960	9177.4747	-0.0000	0.0000	0.0000
-0.0000	0.0000	-0.0000	4133.3128	0.0000	0.0000
-0.0000	-0.0000	0.0000	0.0000	2958.0667	0.0000
0.0000	-0.0000	0.0000	0.0000	0.0000	4854.1721

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