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Array
(
    [0] => Array
        (
            [id] => 1527
            [topology] => 4<sup>6</sup>T39
            [link_rcsr] => 
            [in_col] => 6
            [transitivity] => [6(12)(11)5]
            [space_group] => C2/m
            [pearson] => mS32
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>6</sup>T39
            [sp_atoms] => 
            [caid] => 452
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.470
            [e_gap] => 
            [energy] => 0.875
            [bulk_mod] => 409.0
            [shear_mod] => 468.2
            [vicker_hard] => 88.2
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1528
            [topology] => 4<sup>6</sup>T39
            [link_rcsr] => 
            [in_col] => 6
            [transitivity] => [6(12)(11)5]
            [space_group] => C2/m
            [pearson] => mS32
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>6</sup>T39
            [sp_atoms] => 
            [caid] => 452
            [nn] => 1
            [name] => G159
            [pressure] => 
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [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: 452

Topology: 46T39

# of independent nodes (IN): 6
Transitivity: [6(12)(11)5]
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
46T39 (SACADA #452)3.4700.875409.0468.288.2SACADA¹
G159doi: 10.1002/cphc.201700151 
Elasticity tensor (kBar)¹

11101.6475278.9933649.7757-0.00000.0000-208.1954
278.993310519.89331122.20420.0000-0.0000189.5687
649.77571122.204211111.39610.00000.0000-370.7868
-0.00000.00000.00003712.4638-122.5624-0.0000
0.0000-0.00000.0000-122.56245132.2767-0.0000
-208.1954189.5687-370.7868-0.0000-0.00004540.0228

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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