xxx 
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
            [sp_atoms] => 
            [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
            [sp_atoms] => 
            [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] => 
        )

)
General information SACADA Check your allotrope Apps Cite this: Angew. Chem. Int. Ed. 2016, 55, 10962–10976 

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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Style:  Wireframe   Capped sticks   Spacefill   Ball&Sticks
Labels:  No Labels   All Atoms
Translations:  {1x1x1}   {2x2x2}  {3x3x3}
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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)1.6192.08298.427.84.3SACADA¹
fcc-C101.651.85107.1343.04doi: 10.1021/jp3064323 
Elasticity tensor (kBar)¹

2076.7096437.9466437.9466-0.00000.0000-0.0000
437.94662076.7096437.9466-0.00000.00000.0000
437.9466437.94662076.7096-0.00000.00000.0000
-0.0000-0.0000-0.0000106.6859-0.0000-0.0000
-0.00000.0000-0.0000-0.0000106.6859-0.0000
-0.00000.00000.00000.0000-0.0000106.6859

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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© 2016 – 2025 SCTMS  Team References support@sacada.info Cite this: Angew. Chem. Int. Ed. 2016, 55, 10962–10976 
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