xxx 
Array
(
    [0] => Array
        (
            [id] => 1247
            [topology] => 3<sup>9</sup>,4T1
            [link_rcsr] => 
            [in_col] => 10
            [transitivity] => -
            [space_group] => Cmmm
            [pearson] => oS56
            [cn] => 3, 4 (13:1)
            [Year] => 2006
            [cn_sort] => 003-004-013-001-
            [topology_str] => 3<sup>9</sup>,4T1
            [sp_atoms] => 
            [caid] => 320
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => .824
            [e_gap] => 
            [energy] => 0.674
            [bulk_mod] => 47.8
            [shear_mod] => 30.0
            [vicker_hard] => 3.4
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1248
            [topology] => 3<sup>9</sup>,4T1
            [link_rcsr] => 
            [in_col] => 10
            [transitivity] => -
            [space_group] => Cmmm
            [pearson] => oS56
            [cn] => 3, 4 (13:1)
            [Year] => 2006
            [cn_sort] => 003-004-013-001-
            [topology_str] => 3<sup>9</sup>,4T1
            [sp_atoms] => 
            [caid] => 320
            [nn] => 1
            [name] => Zigzag carbon(5,5)
            [pressure] => 
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 75.5
            [shear_mod] => 2.9
            [vicker_hard] => 
            [ref_file] => /References/2006_PhysRev_B_74_214104
            [publ_year] => 2006
            [ref] => 
        )

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

SACADA Database Code: 320

Topology: 39,4T1

# of independent nodes (IN): 10
Transitivity: -
Space Group: Cmmm
Pearson: oS56
Coordination Number (CN): 3, 4 (13:1)

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
39,4T1 (SACADA #320).8240.67447.830.03.4SACADA¹
Zigzag carbon(5,5)75.52.9doi: 10.1103/PhysRevB.74.214104 
Elasticity tensor (kBar)¹

1718.8292814.9865406.23970.0000-0.00000.0000
814.9865386.7993206.0815-0.00000.0000-0.0000
406.2397206.08153635.2270-0.0000-0.0000-0.0000
0.0000-0.0000-0.000040.9934-0.00000.0000
-0.00000.0000-0.0000-0.0000517.30600.0000
0.0000-0.0000-0.00000.00000.0000993.7459

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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