xxx 
Array
(
    [0] => Array
        (
            [id] => 1019
            [topology] => 4<sup>5</sup>T15
            [link_rcsr] => 
            [in_col] => 5
            [transitivity] => [5753]
            [space_group] => I-4
            [pearson] => tI28
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => 4<sup>5</sup>T15
            [sp_atoms] => 
            [caid] => 238
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.308
            [e_gap] => 
            [energy] => 0.739
            [bulk_mod] => 408.3
            [shear_mod] => 419.4
            [vicker_hard] => 76.3
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1020
            [topology] => 4<sup>5</sup>T15
            [link_rcsr] => 
            [in_col] => 5
            [transitivity] => [5753]
            [space_group] => I-4
            [pearson] => tI28
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => 4<sup>5</sup>T15
            [sp_atoms] => 
            [caid] => 238
            [nn] => 1
            [name] => I-4
            [pressure] => 23.1
            [density] => 3.262
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 83.0
            [ref_file] => /References/2013_JChemPhys_138_114101
            [publ_year] => 2013
            [ref] => 
        )

    [2] => Array
        (
            [id] => 1021
            [topology] => 4<sup>5</sup>T15
            [link_rcsr] => 
            [in_col] => 5
            [transitivity] => [5753]
            [space_group] => I-4
            [pearson] => tI28
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => 4<sup>5</sup>T15
            [sp_atoms] => 
            [caid] => 238
            [nn] => 2
            [name] => I-4-carbon
            [pressure] => 
            [density] => 3.276
            [e_gap] => 5.19
            [energy] => 
            [bulk_mod] => 393
            [shear_mod] => 421
            [vicker_hard] => 55.5
            [ref_file] => /References/2016_Materials_09_484
            [publ_year] => 2016
            [ref] => 
        )

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

SACADA Database Code: 238

Topology: 45T15

# of independent nodes (IN): 5
Transitivity: [5753]
Space Group: I-4
Pearson: tI28
Coordination Number (CN): 4

Year: 2013

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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
45T15 (SACADA #238)3.3080.739408.3419.476.3SACADA¹
I-423.13.26283.0doi: 10.1063/1.4794424 
I-4-carbon3.2765.1939342155.5doi: 10.3390/ma9060484 
Elasticity tensor (kBar)¹

9432.24541639.49181162.5550-297.8147-0.0000-0.0000
1639.49189432.24541162.5550297.8147-0.0000-0.0000
1162.55501162.55509953.71200.0000-0.00000.0000
-297.8147297.81470.00004719.7792-0.0000-0.0000
0.0000-0.00000.0000-0.00004007.6389-0.0000
-0.0000-0.00000.0000-0.0000-0.00004007.6389

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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