xxx 
Array
(
    [0] => Array
        (
            [id] => 1006
            [topology] => 4<sup>4</sup>T106
            [link_rcsr] => 
            [in_col] => 4
            [transitivity] => [4(10)62]
            [space_group] => P43212
            [pearson] => tP32
            [cn] => 4
            [Year] => 2016
            [cn_sort] => 004-
            [topology_str] => 4<sup>4</sup>T106
            [sp_atoms] => 
            [caid] => 232
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.593
            [e_gap] => 
            [energy] => 0.793
            [bulk_mod] => 388.9
            [shear_mod] => 490.6
            [vicker_hard] => 93.6
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1007
            [topology] => 4<sup>4</sup>T106
            [link_rcsr] => 
            [in_col] => 4
            [transitivity] => [4(10)62]
            [space_group] => P43212
            [pearson] => tP32
            [cn] => 4
            [Year] => 2016
            [cn_sort] => 004-
            [topology_str] => 4<sup>4</sup>T106
            [sp_atoms] => 
            [caid] => 232
            [nn] => 1
            [name] => t32*
            [pressure] => 
            [density] => 3.528
            [e_gap] => 5.23
            [energy] => 
            [bulk_mod] => 351
            [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: 232

Topology: 44T106

# of independent nodes (IN): 4
Transitivity: [4(10)62]
Space Group: P43212
Pearson: tP32
Coordination Number (CN): 4

Year: 2016

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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
44T106 (SACADA #232)3.5930.793388.9490.693.6SACADA¹
t32*3.5285.23351doi: 10.1103/PhysRevB.94.174102 
Elasticity tensor (kBar)¹

10373.2475490.6460763.5267-0.0000-0.00000.0000
490.646010373.2475763.52670.0000-0.0000-0.0000
763.5267763.526710219.56580.0000-0.00000.0000
-0.00000.00000.00004836.5990-0.0000-0.0000
-0.00000.0000-0.0000-0.00005025.57720.0000
0.0000-0.00000.0000-0.00000.00005025.5772

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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