xxx 
Array
(
    [0] => Array
        (
            [id] => 216
            [topology] => neb
            [link_rcsr] => http://rcsr.net/nets/neb
            [in_col] => 1
            [transitivity] => [1221]
            [space_group] => Fddd
            [pearson] => oF16
            [cn] => 4
            [Year] => 2004
            [cn_sort] => 004-
            [topology_str] => neb
            [caid] => 30
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.581
            [e_gap] => 
            [energy] => 1.675
            [bulk_mod] => 380.6
            [shear_mod] => 415.1
            [vicker_hard] => 77.2
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 217
            [topology] => neb
            [link_rcsr] => http://rcsr.net/nets/neb
            [in_col] => 1
            [transitivity] => [1221]
            [space_group] => Fddd
            [pearson] => oF16
            [cn] => 4
            [Year] => 2004
            [cn_sort] => 004-
            [topology_str] => neb
            [caid] => 30
            [nn] => 1
            [name] => H-carbon
            [pressure] => 
            [density] => 3.532
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2004_PhysRev_B_70_045101
            [publ_year] => 2004
            [ref] => 
        )

    [2] => Array
        (
            [id] => 218
            [topology] => neb
            [link_rcsr] => http://rcsr.net/nets/neb
            [in_col] => 1
            [transitivity] => [1221]
            [space_group] => Fddd
            [pearson] => oF16
            [cn] => 4
            [Year] => 2004
            [cn_sort] => 004-
            [topology_str] => neb
            [caid] => 30
            [nn] => 2
            [name] => 
            [pressure] => 
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2013_ZKristallogr_228_343_346
            [publ_year] => 2013
            [ref] => 
        )

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

SACADA Database Code: 30

Topology: neb

# of independent nodes (IN): 1
Transitivity: [1221]
Space Group: Fddd
Pearson: oF16
Coordination Number (CN): 4

Year: 2004

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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
neb (SACADA #30)3.5811.675380.6415.177.2SACADA¹
H-carbon3.532doi: 10.1103/PhysRevB.70.045101 
doi: 10.1524/zkri.2013.1620 
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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