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Array
(
    [0] => Array
        (
            [id] => 524
            [topology] => tfg
            [link_rcsr] => http://rcsr.net/nets/tfg
            [in_col] => 2
            [transitivity] => [2233]
            [space_group] => Pm-3m
            [pearson] => cP20
            [cn] => 3, 4 (2:3)
            [Year] => 2006
            [cn_sort] => 003-004-002-003-
            [topology_str] => tfg
            [caid] => 98
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 2.853
            [e_gap] => 
            [energy] => 0.667
            [bulk_mod] => 340.2
            [shear_mod] => 187.4
            [vicker_hard] => 22.9
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 525
            [topology] => tfg
            [link_rcsr] => http://rcsr.net/nets/tfg
            [in_col] => 2
            [transitivity] => [2233]
            [space_group] => Pm-3m
            [pearson] => cP20
            [cn] => 3, 4 (2:3)
            [Year] => 2006
            [cn_sort] => 003-004-002-003-
            [topology_str] => tfg
            [caid] => 98
            [nn] => 1
            [name] => C20 sc
            [pressure] => 
            [density] => 
            [e_gap] => Metal
            [energy] => 
            [bulk_mod] => 349
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2006_PhysRev_B_74_172101
            [publ_year] => 2006
            [ref] => 
        )

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

SACADA Database Code: 98

Topology: tfg

# of independent nodes (IN): 2
Transitivity: [2233]
Space Group: Pm-3m
Pearson: cP20
Coordination Number (CN): 3, 4 (2:3)

Year: 2006

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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
tfg (SACADA #98)2.8530.667340.2187.422.9SACADA¹
C20 scMetal349doi: 10.1103/PhysRevB.74.172101 
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 – 2024 SCTMS  Team References support@sacada.info Cite this: Angew. Chem. Int. Ed. 2016, 55, 10962–10976 
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