xxx 
Array
(
    [0] => Array
        (
            [id] => 1078
            [topology] => 4<sup>6</sup>T18
            [link_rcsr] => 
            [in_col] => 6
            [transitivity] => [6995]
            [space_group] => Pnma
            [pearson] => oP24-II
            [cn] => 4
            [Year] => 2015
            [cn_sort] => 004-
            [topology_str] => 4<sup>6</sup>T18
            [sp_atoms] => 
            [caid] => 257
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.447
            [e_gap] => 
            [energy] => 0.670
            [bulk_mod] => 425.8
            [shear_mod] => 472.8
            [vicker_hard] => 88.4
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1079
            [topology] => 4<sup>6</sup>T18
            [link_rcsr] => 
            [in_col] => 6
            [transitivity] => [6995]
            [space_group] => Pnma
            [pearson] => oP24-II
            [cn] => 4
            [Year] => 2015
            [cn_sort] => 004-
            [topology_str] => 4<sup>6</sup>T18
            [sp_atoms] => 
            [caid] => 257
            [nn] => 1
            [name] => oP24-II
            [pressure] => 0-20
            [density] => 3.408
            [e_gap] => 4.9
            [energy] => 
            [bulk_mod] => 412
            [shear_mod] => 
            [vicker_hard] => 90.8
            [ref_file] => /References/2015_PhysChemChemPhys_17_1332
            [publ_year] => 2015
            [ref] => 
        )

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

SACADA Database Code: 257

Topology: 46T18

# of independent nodes (IN): 6
Transitivity: [6995]
Space Group: Pnma
Pearson: oP24-II
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
46T18 (SACADA #257)3.4470.670425.8472.888.4SACADA¹
oP24-II0-203.4084.941290.8doi: 10.1039/c4cp04569f 
Elasticity tensor (kBar)¹

9931.8033613.82261329.0493-0.00000.00000.0000
613.822611237.00771065.89340.0000-0.00000.0000
1329.04931065.893411215.8159-0.0000-0.0000-0.0000
-0.00000.0000-0.00004111.5993-0.0000-0.0000
0.0000-0.0000-0.0000-0.00005198.07530.0000
0.00000.0000-0.0000-0.00000.00004634.8956

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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