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Array
(
    [0] => Array
        (
            [id] => 770
            [topology] => 3<sup>2</sup>,4T216
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3542]
            [space_group] => I41/amd
            [pearson] => tI64
            [cn] => 3, 4 (1:1)
            [Year] => 2016
            [cn_sort] => 003-004-001-001-
            [topology_str] => 3<sup>2</sup>,4T216
            [caid] => 171
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 2.598
            [e_gap] => 
            [energy] => 0.348
            [bulk_mod] => 275.2
            [shear_mod] => 207.1
            [vicker_hard] => 26.5
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 771
            [topology] => 3<sup>2</sup>,4T216
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3542]
            [space_group] => I41/amd
            [pearson] => tI64
            [cn] => 3, 4 (1:1)
            [Year] => 2016
            [cn_sort] => 003-004-001-001-
            [topology_str] => 3<sup>2</sup>,4T216
            [caid] => 171
            [nn] => 1
            [name] => C64
            [pressure] => 
            [density] => 2.562
            [e_gap] => 1.32
            [energy] => 
            [bulk_mod] => 264
            [shear_mod] => 217
            [vicker_hard] => 
            [ref_file] => /References/2016_JMatSci_52_2385
            [publ_year] => 2016
            [ref] => 
        )

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

SACADA Database Code: 171

Topology: 32,4T216

# of independent nodes (IN): 3
Transitivity: [3542]
Space Group: I41/amd
Pearson: tI64
Coordination Number (CN): 3, 4 (1:1)

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
32,4T216 (SACADA #171)2.5980.348275.2207.126.5SACADA¹
C642.5621.32264217doi: 10.1007/s10853-016-0564-6 
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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