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Array
(
    [0] => Array
        (
            [id] => 1443
            [topology] => 4<sup>4</sup>T114
            [link_rcsr] => 
            [in_col] => 4
            [transitivity] => [4973]
            [space_group] => C2/m
            [pearson] => mS24
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>4</sup>T114
            [sp_atoms] => 
            [caid] => 410
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.278
            [e_gap] => 
            [energy] => 0.969
            [bulk_mod] => 371.6
            [shear_mod] => 409.8
            [vicker_hard] => 76.5
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1444
            [topology] => 4<sup>4</sup>T114
            [link_rcsr] => 
            [in_col] => 4
            [transitivity] => [4973]
            [space_group] => C2/m
            [pearson] => mS24
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>4</sup>T114
            [sp_atoms] => 
            [caid] => 410
            [nn] => 1
            [name] => G104
            [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: 410

Topology: 44T114

# of independent nodes (IN): 4
Transitivity: [4973]
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
44T114 (SACADA #410)3.2780.969371.6409.876.5SACADA¹
G104doi: 10.1002/cphc.201700151 
Elasticity tensor (kBar)¹

8653.1012822.7551888.97050.0000-0.0000327.3409
822.755110295.8678689.1146-0.00000.0000-326.0723
888.9705689.11469757.37790.0000-0.0000-190.5443
0.0000-0.00000.00003867.1223-393.4079-0.0000
-0.00000.0000-0.0000-393.40793612.75960.0000
327.3409-326.0723-190.5443-0.00000.00004330.3277

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