xxx 
Array
(
    [0] => Array
        (
            [id] => 1184
            [topology] => 4<sup>8</sup>T15
            [link_rcsr] => 
            [in_col] => 8
            [transitivity] => [8(14)(13)7]
            [space_group] => P2/m
            [pearson] => mP16
            [cn] => 4
            [Year] => 2015
            [cn_sort] => 004-
            [topology_str] => 4<sup>8</sup>T15
            [sp_atoms] => 
            [caid] => 294
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.461
            [e_gap] => 
            [energy] => 0.670
            [bulk_mod] => 430.4
            [shear_mod] => 488.9
            [vicker_hard] => 91.9
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1185
            [topology] => 4<sup>8</sup>T15
            [link_rcsr] => 
            [in_col] => 8
            [transitivity] => [8(14)(13)7]
            [space_group] => P2/m
            [pearson] => mP16
            [cn] => 4
            [Year] => 2015
            [cn_sort] => 004-
            [topology_str] => 4<sup>8</sup>T15
            [sp_atoms] => 
            [caid] => 294
            [nn] => 1
            [name] => mP16
            [pressure] => 0-20
            [density] => 3.423
            [e_gap] => 4.3
            [energy] => 
            [bulk_mod] => 423
            [shear_mod] => 
            [vicker_hard] => 91.0
            [ref_file] => /References/2015_PhysChemChemPhys_17_1332
            [publ_year] => 2015
            [ref] => 
        )

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

SACADA Database Code: 294

Topology: 48T15

# of independent nodes (IN): 8
Transitivity: [8(14)(13)7]
Space Group: P2/m
Pearson: mP16
Coordination Number (CN): 4

Year: 2015

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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
48T15 (SACADA #294)3.4610.670430.4488.991.9SACADA¹
mP160-203.4234.342391.0doi: 10.1039/c4cp04569f 
Elasticity tensor (kBar)¹

11581.52251035.5995910.6955-0.00000.0000-39.4116
1035.599511600.4225379.70560.0000-0.0000132.8269
910.6955379.705610935.42500.0000-0.0000-150.7793
-0.00000.00000.00005383.9733147.7013-0.0000
0.0000-0.0000-0.0000147.70134116.9929-0.0000
-39.4116132.8269-150.7793-0.0000-0.00004496.1730

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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