xxx 
Array
(
    [0] => Array
        (
            [id] => 592
            [topology] => sdt
            [link_rcsr] => http://rcsr.net/nets/sdt
            [in_col] => 2
            [transitivity] => [2344]
            [space_group] => Im-3m
            [pearson] => cI60
            [cn] => 4
            [Year] => 2016
            [cn_sort] => 004-
            [topology_str] => sdt
            [sp_atoms] => 
            [caid] => 121
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.269
            [e_gap] => 
            [energy] => 0.366
            [bulk_mod] => 392.3
            [shear_mod] => 415.2
            [vicker_hard] => 76.5
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 593
            [topology] => sdt
            [link_rcsr] => http://rcsr.net/nets/sdt
            [in_col] => 2
            [transitivity] => [2344]
            [space_group] => Im-3m
            [pearson] => cI60
            [cn] => 4
            [Year] => 2016
            [cn_sort] => 004-
            [topology_str] => sdt
            [sp_atoms] => 
            [caid] => 121
            [nn] => 1
            [name] => C60
            [pressure] => 50.1
            [density] => 3.34
            [e_gap] => 2.26
            [energy] => 
            [bulk_mod] => 392
            [shear_mod] => 427
            [vicker_hard] => 82.8
            [ref_file] => /References/2016_Carbon_105_151
            [publ_year] => 2016
            [ref] => 
        )

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

SACADA Database Code: 121

Topology: sdt

# of independent nodes (IN): 2
Transitivity: [2344]
Space Group: Im-3m
Pearson: cI60
Coordination Number (CN): 4

Year: 2016

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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
sdt (SACADA #121)3.2690.366392.3415.276.5SACADA¹
C6050.13.342.2639242782.8doi: 10.1016/j.carbon.2016.04.038 
Elasticity tensor (kBar)¹

9193.02251288.08161288.08160.00000.0000-0.0000
1288.08169193.02251288.0816-0.0000-0.00000.0000
1288.08161288.08169193.02250.0000-0.00000.0000
0.0000-0.00000.00004292.0751-0.0000-0.0000
0.0000-0.0000-0.0000-0.00004292.07510.0000
-0.0000-0.00000.0000-0.0000-0.00004292.0751

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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