xxx 
Array
(
    [0] => Array
        (
            [id] => 1493
            [topology] => 4<sup>8</sup>T39
            [link_rcsr] => 
            [in_col] => 8
            [transitivity] => [8(13)(13)7]
            [space_group] => C2/m
            [pearson] => mS32
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>8</sup>T39
            [sp_atoms] => 
            [caid] => 435
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.395
            [e_gap] => 
            [energy] => 0.760
            [bulk_mod] => 389.5
            [shear_mod] => 441.1
            [vicker_hard] => 82.9
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1494
            [topology] => 4<sup>8</sup>T39
            [link_rcsr] => 
            [in_col] => 8
            [transitivity] => [8(13)(13)7]
            [space_group] => C2/m
            [pearson] => mS32
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>8</sup>T39
            [sp_atoms] => 
            [caid] => 435
            [nn] => 1
            [name] => G135
            [pressure] => 
            [density] => 
            [e_gap] => 
            [energy] => 
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            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2017_ChemPhysChem_18_873
            [publ_year] => 2017
            [ref] => 
        )

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

SACADA Database Code: 435

Topology: 48T39

# of independent nodes (IN): 8
Transitivity: [8(13)(13)7]
Space Group: C2/m
Pearson: mS32
Coordination Number (CN): 4

Year: 2017

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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
48T39 (SACADA #435)3.3950.760389.5441.182.9SACADA¹
G135doi: 10.1002/cphc.201700151 
Elasticity tensor (kBar)¹

9674.0665844.08641072.57810.0000-0.0000427.1646
844.086410864.0795539.37520.0000-0.0000-225.2342
1072.5781539.37529631.0212-0.0000-0.0000-396.2077
0.00000.0000-0.00004638.2650-391.38290.0000
-0.0000-0.0000-0.0000-391.38294382.0379-0.0000
427.1646-225.2342-396.20770.0000-0.00003875.3712

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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