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Array
(
    [0] => Array
        (
            [id] => 1287
            [topology] => 4<sup>16</sup>T4
            [link_rcsr] => 
            [in_col] => 16
            [transitivity] => [(16)(26)(25)(15)]
            [space_group] => P2/m
            [pearson] => mP32
            [cn] => 4
            [Year] => 2016
            [cn_sort] => 004-
            [topology_str] => 4<sup>16</sup>T4
            [sp_atoms] => 
            [caid] => 338
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.499
            [e_gap] => 
            [energy] => 0.613
            [bulk_mod] => 420.7
            [shear_mod] => 491.1
            [vicker_hard] => 92.8
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1288
            [topology] => 4<sup>16</sup>T4
            [link_rcsr] => 
            [in_col] => 16
            [transitivity] => [(16)(26)(25)(15)]
            [space_group] => P2/m
            [pearson] => mP32
            [cn] => 4
            [Year] => 2016
            [cn_sort] => 004-
            [topology_str] => 4<sup>16</sup>T4
            [sp_atoms] => 
            [caid] => 338
            [nn] => 1
            [name] => 10(I)
            [pressure] => 
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2016_PhysRevB_93_085201
            [publ_year] => 2016
            [ref] => 
        )

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

SACADA Database Code: 338

Topology: 416T4

# of independent nodes (IN): 16
Transitivity: [(16)(26)(25)(15)]
Space Group: P2/m
Pearson: mP32
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
416T4 (SACADA #338)3.4990.613420.7491.192.8SACADA¹
10(I)doi: 10.1103/PhysRevB.93.085201 
Elasticity tensor (kBar)¹

10830.2382278.94651260.9049-0.00000.0000-0.4233
278.946511248.37561208.32770.00000.0000-1.4622
1260.90491208.327710293.9373-0.0000-0.0000-5.4976
-0.00000.0000-0.00004324.8452-0.03780.0000
0.00000.0000-0.0000-0.03785358.75400.0000
-0.4233-1.4622-5.49760.00000.00005101.5840

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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