SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 1019
            [topology] => 4<sup>5</sup>T15
            [link_rcsr] => 
            [in_col] => 5
            [transitivity] => [5753]
            [space_group] => I-4
            [pearson] => tI28
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => 4<sup>5</sup>T15
            [caid] => 238
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.308
            [e_gap] => 
            [energy] => 0.739
            [bulk_mod] => 408.3
            [shear_mod] => 419.4
            [vicker_hard] => 76.3
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1020
            [topology] => 4<sup>5</sup>T15
            [link_rcsr] => 
            [in_col] => 5
            [transitivity] => [5753]
            [space_group] => I-4
            [pearson] => tI28
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => 4<sup>5</sup>T15
            [caid] => 238
            [nn] => 1
            [name] => I-4
            [pressure] => 23.1
            [density] => 3.262
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 83.0
            [ref_file] => /References/2013_JChemPhys_138_114101
            [publ_year] => 2013
            [ref] => 
        )

    [2] => Array
        (
            [id] => 1021
            [topology] => 4<sup>5</sup>T15
            [link_rcsr] => 
            [in_col] => 5
            [transitivity] => [5753]
            [space_group] => I-4
            [pearson] => tI28
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => 4<sup>5</sup>T15
            [caid] => 238
            [nn] => 2
            [name] => I-4-carbon
            [pressure] => 
            [density] => 3.276
            [e_gap] => 5.19
            [energy] => 
            [bulk_mod] => 393
            [shear_mod] => 421
            [vicker_hard] => 55.5
            [ref_file] => /References/2016_Materials_09_484
            [publ_year] => 2016
            [ref] => 
        )

)

SACADA Database Code: 238

Topology: 4⁵T15

# of independent nodes (IN): 5
Transitivity: [5753]
Space Group: I-4
Pearson: tI28
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
4⁵T15 (SACADA #238)		3.308		0.739	408.3	419.4	76.3	SACADA¹
I-4	23.1	3.262					83.0	doi: 10.1063/1.4794424
I-4-carbon		3.276	5.19		393	421	55.5	doi: 10.3390/ma9060484

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