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Array
(
    [0] => Array
        (
            [id] => 1157
            [topology] => 4<sup>7</sup>T7
            [link_rcsr] => 
            [in_col] => 7
            [transitivity] => [7(12)(11)6]
            [space_group] => I2/m
            [pearson] => mS28
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => 4<sup>7</sup>T7
            [sp_atoms] => 
            [caid] => 282
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.421
            [e_gap] => 
            [energy] => 0.670
            [bulk_mod] => 424.5
            [shear_mod] => 476.5
            [vicker_hard] => 89.3
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1158
            [topology] => 4<sup>7</sup>T7
            [link_rcsr] => 
            [in_col] => 7
            [transitivity] => [7(12)(11)6]
            [space_group] => I2/m
            [pearson] => mS28
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => 4<sup>7</sup>T7
            [sp_atoms] => 
            [caid] => 282
            [nn] => 1
            [name] => 14A
            [pressure] => 20
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2013_PhysRev_B_88_014102
            [publ_year] => 2013
            [ref] => 
        )

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

SACADA Database Code: 282

Topology: 47T7

# of independent nodes (IN): 7
Transitivity: [7(12)(11)6]
Space Group: I2/m
Pearson: mS28
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
47T7 (SACADA #282)3.4210.670424.5476.589.3SACADA¹
14A20doi: 10.1103/PhysRevB.88.014102 
Elasticity tensor (kBar)¹

11159.2846757.27771113.0529-0.0000-0.0000-606.5329
757.277711320.2651802.1473-0.0000-0.0000384.9352
1113.0529802.147310397.35770.00000.0000236.9641
-0.0000-0.00000.00004942.7125513.8602-0.0000
-0.0000-0.00000.0000513.86024679.8316-0.0000
-606.5329384.9352236.9641-0.0000-0.00004203.3673

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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