SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 1150
            [topology] => 4<sup>7</sup>T4
            [link_rcsr] => 
            [in_col] => 7
            [transitivity] => [7(12)(10)3]
            [space_group] => Immm
            [pearson] => oI56
            [cn] => 4
            [Year] => 2010
            [cn_sort] => 004-
            [topology_str] => 4<sup>7</sup>T4
            [sp_atoms] => 
            [caid] => 279
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 2.973
            [e_gap] => 
            [energy] => 0.829
            [bulk_mod] => 354.8
            [shear_mod] => 368.9
            [vicker_hard] => 67.5
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1151
            [topology] => 4<sup>7</sup>T4
            [link_rcsr] => 
            [in_col] => 7
            [transitivity] => [7(12)(10)3]
            [space_group] => Immm
            [pearson] => oI56
            [cn] => 4
            [Year] => 2010
            [cn_sort] => 004-
            [topology_str] => 4<sup>7</sup>T4
            [sp_atoms] => 
            [caid] => 279
            [nn] => 1
            [name] => bco-C28
            [pressure] => 
            [density] => 
            [e_gap] => 3.3
            [energy] => 
            [bulk_mod] => 341
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2010-2011_Anno Accademico_Giorgio_BENEDEK
            [publ_year] => 2010
            [ref] => 
        )

    [2] => Array
        (
            [id] => 1152
            [topology] => 4<sup>7</sup>T4
            [link_rcsr] => 
            [in_col] => 7
            [transitivity] => [7(12)(10)3]
            [space_group] => Immm
            [pearson] => oI56
            [cn] => 4
            [Year] => 2010
            [cn_sort] => 004-
            [topology_str] => 4<sup>7</sup>T4
            [sp_atoms] => 
            [caid] => 279
            [nn] => 2
            [name] => bco-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: 279

Topology: 4⁷T4

# of independent nodes (IN): 7
Transitivity: [7(12)(10)3]
Space Group: Immm
Pearson: oI56
Coordination Number (CN): 4

Year: 2010

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Data

Name	Pressure, GPa	Density, g/cm³	Gap, eV	Relative energy, eV/atom	Bulk, GPa	Shear, GPa	Vickers, GPa	Refs
4⁷T4 (SACADA #279)		2.973		0.829	354.8	368.9	67.5	SACADA¹
bco-C28			3.3		341			link
bco-C28								doi: 10.1007/978-94-007-6371-5_4

Elasticity tensor (kBar)¹

9717.8684	714.8634	788.8970	-0.0000	-0.0000	0.0000
714.8634	8628.2609	1116.3685	0.0000	0.0000	0.0000
788.8970	1116.3685	8369.9108	-0.0000	0.0000	0.0000
0.0000	0.0000	0.0000	3652.1452	-0.0000	-0.0000
-0.0000	0.0000	0.0000	-0.0000	3135.3150	0.0000
-0.0000	-0.0000	0.0000	-0.0000	0.0000	3724.2594

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