SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 594
            [topology] => 4<sup>2</sup>T63
            [link_rcsr] => 
            [in_col] => 2
            [transitivity] => [2422]
            [space_group] => R-3
            [pearson] => hR24
            [cn] => 4
            [Year] => 2015
            [cn_sort] => 004-
            [topology_str] => 4<sup>2</sup>T63
            [caid] => 122
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.596
            [e_gap] => 
            [energy] => 1.362
            [bulk_mod] => 385.5
            [shear_mod] => 500.9
            [vicker_hard] => 95.8
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 595
            [topology] => 4<sup>2</sup>T63
            [link_rcsr] => 
            [in_col] => 2
            [transitivity] => [2422]
            [space_group] => R-3
            [pearson] => hR24
            [cn] => 4
            [Year] => 2015
            [cn_sort] => 004-
            [topology_str] => 4<sup>2</sup>T63
            [caid] => 122
            [nn] => 1
            [name] => r8
            [pressure] => 
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 363
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2015PhysRevB91_214104
            [publ_year] => 2015
            [ref] => 
        )

    [2] => Array
        (
            [id] => 596
            [topology] => 4<sup>2</sup>T63
            [link_rcsr] => 
            [in_col] => 2
            [transitivity] => [2422]
            [space_group] => R-3
            [pearson] => hR24
            [cn] => 4
            [Year] => 2015
            [cn_sort] => 004-
            [topology_str] => 4<sup>2</sup>T63
            [caid] => 122
            [nn] => 2
            [name] => r8
            [pressure] => 
            [density] => 3.532
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 348
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2016_PhysRevB_94_174102
            [publ_year] => 2016
            [ref] => 
        )

)

SACADA Database Code: 122

Topology: 4²T63

# of independent nodes (IN): 2
Transitivity: [2422]
Space Group: R-3
Pearson: hR24
Coordination Number (CN): 4

Year: 2015

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Data

Name	Pressure, GPa	Density, g/cm³	Gap, eV	Relative energy, eV/atom	Bulk, GPa	Shear, GPa	Vickers, GPa	Refs
4²T63 (SACADA #122)		3.596		1.362	385.5	500.9	95.8	SACADA¹
r8					363			doi: 10.1103/PhysRevB.91.214104
r8		3.532			348			doi: 10.1103/PhysRevB.94.174102

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