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

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

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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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
ast (SACADA #92)2.6920.638309.6272.243.8SACADA¹
fcc-C322.752.00307.38278.8379.9doi: 10.1021/jp3064323 
Elasticity tensor (kBar)¹

5880.51391703.15821703.15820.00000.0000-0.0000
1703.15825880.51391703.1582-0.0000-0.00000.0000
1703.15821703.15825880.51390.0000-0.0000-0.0000
0.0000-0.00000.00003249.8726-0.0000-0.0000
0.0000-0.0000-0.0000-0.00003249.8726-0.0000
-0.00000.0000-0.0000-0.0000-0.00003249.8726

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 
xxx