SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 772
            [topology] => 4<sup>3</sup>T140
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3543]
            [space_group] => Pm-3
            [pearson] => cP28
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => 4<sup>3</sup>T140
            [sp_atoms] => 
            [caid] => 172
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 2.939
            [e_gap] => 
            [energy] => 0.985
            [bulk_mod] => 346.8
            [shear_mod] => 334.2
            [vicker_hard] => 58.6
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 773
            [topology] => 4<sup>3</sup>T140
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3543]
            [space_group] => Pm-3
            [pearson] => cP28
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => 4<sup>3</sup>T140
            [sp_atoms] => 
            [caid] => 172
            [nn] => 1
            [name] => sc-C28
            [pressure] => 
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2013_Diamond_RelatedNanostructures_6_75_89
            [publ_year] => 2013
            [ref] => 
        )

)

SACADA Database Code: 172

Topology: 4³T140

# of independent nodes (IN): 3
Transitivity: [3543]
Space Group: Pm-3
Pearson: cP28
Coordination Number (CN): 4

Year: 2013

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Data

Name	Pressure, GPa	Density, g/cm³	Gap, eV	Relative energy, eV/atom	Bulk, GPa	Shear, GPa	Vickers, GPa	Refs
4³T140 (SACADA #172)		2.939		0.985	346.8	334.2	58.6	SACADA¹
sc-C28								doi: 10.1007/978-94-007-6371-5_4

Elasticity tensor (kBar)¹

7292.5251	1554.8338	1554.8338	0.0000	-0.0000	-0.0000
1554.8338	7292.5251	1554.8338	0.0000	0.0000	0.0000
1554.8338	1554.8338	7292.5251	-0.0000	0.0000	-0.0000
0.0000	0.0000	-0.0000	3700.1345	-0.0000	0.0000
-0.0000	0.0000	0.0000	-0.0000	3700.1345	-0.0000
-0.0000	0.0000	-0.0000	0.0000	-0.0000	3700.1345

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