SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 493
            [topology] => ast
            [link_rcsr] => http://rcsr.net/nets/ast
            [in_col] => 2
            [transitivity] => [2222]
            [space_group] => Fm-3m
            [pearson] => cF40
            [cn] => 4
            [Year] => 2012
            [cn_sort] => 004-
            [topology_str] => ast
            [caid] => 92
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 2.692
            [e_gap] => 
            [energy] => 0.638
            [bulk_mod] => 309.6
            [shear_mod] => 272.2
            [vicker_hard] => 43.8
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 494
            [topology] => ast
            [link_rcsr] => http://rcsr.net/nets/ast
            [in_col] => 2
            [transitivity] => [2222]
            [space_group] => Fm-3m
            [pearson] => cF40
            [cn] => 4
            [Year] => 2012
            [cn_sort] => 004-
            [topology_str] => ast
            [caid] => 92
            [nn] => 1
            [name] => fcc-C32
            [pressure] => 
            [density] => 2.75
            [e_gap] => 2.00
            [energy] => 
            [bulk_mod] => 307.38
            [shear_mod] => 278.83
            [vicker_hard] => 79.9
            [ref_file] => /References/2012_JPhysChemC116_24233_ExoticCubC
            [publ_year] => 2012
            [ref] => 
        )

)

SACADA Database Code: 92

Topology: ast

# of independent nodes (IN): 2
Transitivity: [2222]
Space Group: Fm-3m
Pearson: cF40
Coordination Number (CN): 4

Year: 2012

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Data

Name	Pressure, GPa	Density, g/cm³	Gap, eV	Relative energy, eV/atom	Bulk, GPa	Shear, GPa	Vickers, GPa	Refs
ast (SACADA #92)		2.692		0.638	309.6	272.2	43.8	SACADA¹
fcc-C32		2.75	2.00		307.38	278.83	79.9	doi: 10.1021/jp3064323

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