xxx 
Array
(
    [0] => Array
        (
            [id] => 1671
            [topology] => 4<sup>2</sup>T286
            [link_rcsr] => 
            [in_col] => 2
            [transitivity] => [2763]
            [space_group] => P2/m
            [pearson] => mP8
            [cn] => 4
            [Year] => 2019
            [cn_sort] => 004-
            [topology_str] => 4^2T286
            [sp_atoms] => 
            [caid] => 524
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.471
            [e_gap] => 
            [energy] => 0.531
            [bulk_mod] => 401.2
            [shear_mod] => 235.0
            [vicker_hard] => 27.6
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1672
            [topology] => 4<sup>2</sup>T286
            [link_rcsr] => 
            [in_col] => 2
            [transitivity] => [2763]
            [space_group] => P2/m
            [pearson] => mP8
            [cn] => 4
            [Year] => 2019
            [cn_sort] => 004-
            [topology_str] => 4^2T286
            [sp_atoms] => 
            [caid] => 524
            [nn] => 1
            [name] => 4,4T286
            [pressure] => 
            [density] => 3.446
            [e_gap] => 2.12
            [energy] => 
            [bulk_mod] => 416
            [shear_mod] => 474
            [vicker_hard] => 83
            [ref_file] => /References/2019_SciRep_9_6007
            [publ_year] => 2019
            [ref] => 
        )

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

SACADA Database Code: 524

Topology: 42T286

# of independent nodes (IN): 2
Transitivity: [2763]
Space Group: P2/m
Pearson: mP8
Coordination Number (CN): 4

Year: 2019

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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
42T286 (SACADA #524)3.4710.531401.2235.027.6SACADA¹
4,4T2863.4462.1241647483doi: 10.1038/s41598-019-42483-5 
Elasticity tensor (kBar)¹

11066.9373-60.2056422.6906-0.00000.0000237.9631
-60.20569723.88531308.4309-0.00000.0000-225.2180
422.69061308.430912230.73850.0000-0.000062.3781
-0.0000-0.00000.00003298.0999353.4963-0.0000
0.00000.0000-0.0000353.49634949.1337-0.0000
237.9631-225.218062.3781-0.00000.00004802.2403

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 – 2024 SCTMS  Team References support@sacada.info Cite this: Angew. Chem. Int. Ed. 2016, 55, 10962–10976 
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