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Array
(
    [0] => Array
        (
            [id] => 1441
            [topology] => 4<sup>5</sup>T55
            [link_rcsr] => 
            [in_col] => 5
            [transitivity] => [5894]
            [space_group] => C2/m
            [pearson] => mS24
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>5</sup>T55
            [sp_atoms] => 
            [caid] => 409
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.211
            [e_gap] => 
            [energy] => 1.177
            [bulk_mod] => 347.6
            [shear_mod] => 306.8
            [vicker_hard] => 49.6
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1442
            [topology] => 4<sup>5</sup>T55
            [link_rcsr] => 
            [in_col] => 5
            [transitivity] => [5894]
            [space_group] => C2/m
            [pearson] => mS24
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>5</sup>T55
            [sp_atoms] => 
            [caid] => 409
            [nn] => 1
            [name] => G103
            [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 Cite this: Angew. Chem. Int. Ed. 2016, 55, 10962–10976 

SACADA Database Code: 409

Topology: 45T55

# of independent nodes (IN): 5
Transitivity: [5894]
Space Group: C2/m
Pearson: mS24
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
45T55 (SACADA #409)3.2111.177347.6306.849.6SACADA¹
G103doi: 10.1002/cphc.201700151 
Elasticity tensor (kBar)¹

7179.89461200.43312158.62160.0000-0.0000-189.7480
1200.43316794.22271078.9829-0.00000.0000-142.6293
2158.62161078.98298754.0069-0.00000.0000-597.1227
0.0000-0.00000.00003307.8101-153.83900.0000
-0.00000.00000.0000-153.83902603.4926-0.0000
-189.7480-142.6293-597.12270.0000-0.00003462.0274

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 
xxx