SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 1595
            [topology] => 4<sup>7</sup>T28
            [link_rcsr] => 
            [in_col] => 7
            [transitivity] => [7(12)(13)7]
            [space_group] => C2
            [pearson] => mS24
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>7</sup>T28
            [sp_atoms] => 
            [caid] => 486
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.342
            [e_gap] => 
            [energy] => 1.179
            [bulk_mod] => 351.5
            [shear_mod] => 374.3
            [vicker_hard] => 69.1
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1596
            [topology] => 4<sup>7</sup>T28
            [link_rcsr] => 
            [in_col] => 7
            [transitivity] => [7(12)(13)7]
            [space_group] => C2
            [pearson] => mS24
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>7</sup>T28
            [sp_atoms] => 
            [caid] => 486
            [nn] => 1
            [name] => G195
            [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: 486

Topology: 4⁷T28

# of independent nodes (IN): 7
Transitivity: [7(12)(13)7]
Space Group: C2
Pearson: mS24
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
4⁷T28 (SACADA #486)		3.342		1.179	351.5	374.3	69.1	SACADA¹
G195								doi: 10.1002/cphc.201700151

Elasticity tensor (kBar)¹

9830.1200	965.9460	670.9098	-0.0000	-0.0000	432.7854
965.9460	8678.6856	1353.0152	0.0000	-0.0000	-104.9266
670.9098	1353.0152	7318.8269	-0.0000	0.0000	517.0577
-0.0000	0.0000	-0.0000	4591.7421	211.3359	-0.0000
-0.0000	-0.0000	0.0000	211.3359	3908.8598	0.0000
432.7854	-104.9266	517.0577	-0.0000	0.0000	2892.0984

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