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Array
(
    [0] => Array
        (
            [id] => 1489
            [topology] => 4<sup>9</sup>T9
            [link_rcsr] => 
            [in_col] => 9
            [transitivity] => [9(16)(11)4]
            [space_group] => I2
            [pearson] => mS32
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>9</sup>T9
            [sp_atoms] => 
            [caid] => 433
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.375
            [e_gap] => 
            [energy] => 1.043
            [bulk_mod] => 382.5
            [shear_mod] => 403.1
            [vicker_hard] => 74.1
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1490
            [topology] => 4<sup>9</sup>T9
            [link_rcsr] => 
            [in_col] => 9
            [transitivity] => [9(16)(11)4]
            [space_group] => I2
            [pearson] => mS32
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>9</sup>T9
            [sp_atoms] => 
            [caid] => 433
            [nn] => 1
            [name] => G133
            [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: 433

Topology: 49T9

# of independent nodes (IN): 9
Transitivity: [9(16)(11)4]
Space Group: I2
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
49T9 (SACADA #433)3.3751.043382.5403.174.1SACADA¹
G133doi: 10.1002/cphc.201700151 
Elasticity tensor (kBar)¹

8846.9122925.52021551.63970.00000.0000-104.7419
925.520210194.2401992.87020.0000-0.0000-80.4122
1551.6397992.87028476.72860.0000-0.0000350.4879
0.00000.00000.00004046.4043266.5591-0.0000
0.0000-0.0000-0.0000266.55914134.9312-0.0000
-104.7419-80.4122350.4879-0.0000-0.00004017.5191

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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