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Array
(
    [0] => Array
        (
            [id] => 993
            [topology] => 4<sup>4</sup>T105
            [link_rcsr] => 
            [in_col] => 4
            [transitivity] => [4974]
            [space_group] => P-421c
            [pearson] => tP32
            [cn] => 4
            [Year] => 2016
            [cn_sort] => 004-
            [topology_str] => 4<sup>4</sup>T105
            [sp_atoms] => 
            [caid] => 229
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.595
            [e_gap] => 
            [energy] => 0.793
            [bulk_mod] => 389.9
            [shear_mod] => 492.4
            [vicker_hard] => 94.0
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 994
            [topology] => 4<sup>4</sup>T105
            [link_rcsr] => 
            [in_col] => 4
            [transitivity] => [4974]
            [space_group] => P-421c
            [pearson] => tP32
            [cn] => 4
            [Year] => 2016
            [cn_sort] => 004-
            [topology_str] => 4<sup>4</sup>T105
            [sp_atoms] => 
            [caid] => 229
            [nn] => 1
            [name] => t32
            [pressure] => 
            [density] => 3.530
            [e_gap] => 5.41
            [energy] => 
            [bulk_mod] => 352
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2016_PhysRevB_94_174102
            [publ_year] => 2016
            [ref] => 
        )

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

SACADA Database Code: 229

Topology: 44T105

# of independent nodes (IN): 4
Transitivity: [4974]
Space Group: P-421c
Pearson: tP32
Coordination Number (CN): 4

Year: 2016

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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
44T105 (SACADA #229)3.5950.793389.9492.494.0SACADA¹
t323.5305.41352doi: 10.1103/PhysRevB.94.174102 
Elasticity tensor (kBar)¹

10375.2332510.1194759.56290.0000-0.0000-0.0000
510.119410375.2332759.5629-0.0000-0.0000-0.0000
759.5629759.562910278.70450.0000-0.00000.0000
0.0000-0.00000.00004852.8270-0.00000.0000
-0.0000-0.00000.0000-0.00005051.53680.0000
-0.0000-0.00000.00000.00000.00005051.5368

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