SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 695
            [topology] => mof
            [link_rcsr] => http://rcsr.net/nets/mof
            [in_col] => 3
            [transitivity] => [3322]
            [space_group] => Fm-3m
            [pearson] => cF88
            [cn] => 3, 4 (6:5)
            [Year] => 2012
            [cn_sort] => 003-004-006-005-
            [topology_str] => mof
            [caid] => 152
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 1.619
            [e_gap] => 
            [energy] => 2.082
            [bulk_mod] => 98.4
            [shear_mod] => 27.8
            [vicker_hard] => 4.3
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 696
            [topology] => mof
            [link_rcsr] => http://rcsr.net/nets/mof
            [in_col] => 3
            [transitivity] => [3322]
            [space_group] => Fm-3m
            [pearson] => cF88
            [cn] => 3, 4 (6:5)
            [Year] => 2012
            [cn_sort] => 003-004-006-005-
            [topology_str] => mof
            [caid] => 152
            [nn] => 1
            [name] => fcc-C10
            [pressure] => 
            [density] => 1.65
            [e_gap] => 1.85
            [energy] => 
            [bulk_mod] => 107.13
            [shear_mod] => 43.04
            [vicker_hard] => 
            [ref_file] => /References/2012_JPhysChemC116_24233_ExoticCubC
            [publ_year] => 2012
            [ref] => 
        )

)

SACADA Database Code: 152

Topology: mof

# of independent nodes (IN): 3
Transitivity: [3322]
Space Group: Fm-3m
Pearson: cF88
Coordination Number (CN): 3, 4 (6:5)

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
mof (SACADA #152)		1.619		2.082	98.4	27.8	4.3	SACADA¹
fcc-C10		1.65	1.85		107.13	43.04		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