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Array
(
    [0] => Array
        (
            [id] => 1849
            [topology] => tfi
            [link_rcsr] => 
            [in_col] => 2
            [transitivity] => [2242]
            [space_group] => P42/nnm
            [pearson] => tP12
            [cn] => 3, 4 (1:1)
            [Year] => 2023
            [cn_sort] => 003-004-001-001-
            [topology_str] => tfi
            [caid] => 613
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.251
            [e_gap] => 
            [energy] => 0.518
            [bulk_mod] => 367.0
            [shear_mod] => 363.2
            [vicker_hard] => 64.8
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1850
            [topology] => tfi
            [link_rcsr] => 
            [in_col] => 2
            [transitivity] => [2242]
            [space_group] => P42/nnm
            [pearson] => tP12
            [cn] => 3, 4 (1:1)
            [Year] => 2023
            [cn_sort] => 003-004-001-001-
            [topology_str] => tfi
            [caid] => 613
            [nn] => 1
            [name] => TC12
            [pressure] => 
            [density] => 3.18
            [e_gap] => 1.35
            [energy] => 
            [bulk_mod] => 339
            [shear_mod] => 339
            [vicker_hard] => 56.8
            [ref_file] => /References/2023_SolidStateCommun_366-367_115153
            [publ_year] => 2023
            [ref] => doi:&nbsp;<a href="http://doi.org/10.1016/j.ssc.2023.115153" target="_blank">10.1016/j.ssc.2023.115153</a>
        )

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

SACADA Database Code: 613

Topology: tfi

# of independent nodes (IN): 2
Transitivity: [2242]
Space Group: P42/nnm
Pearson: tP12
Coordination Number (CN): 3, 4 (1:1)

Year: 2023

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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
tfi (SACADA #613)3.2510.518367.0363.264.8SACADA¹
TC123.181.3533933956.8doi: 10.1016/j.ssc.2023.115153 
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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