xxx 
Array
(
    [0] => Array
        (
            [id] => 543
            [topology] => bbe-3,3-Imma
            [link_rcsr] => 
            [in_col] => 2
            [transitivity] => [2331]
            [space_group] => Imma
            [pearson] => oI16
            [cn] => 3
            [Year] => 2016
            [cn_sort] => 003-
            [topology_str] => bbe-3,3-Imma
            [sp_atoms] => 
            [caid] => 103
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 2.607
            [e_gap] => 
            [energy] => 0.351
            [bulk_mod] => 222.1
            [shear_mod] => 153.7
            [vicker_hard] => 17.9
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 544
            [topology] => bbe-3,3-Imma
            [link_rcsr] => 
            [in_col] => 2
            [transitivity] => [2331]
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            [pearson] => oI16
            [cn] => 3
            [Year] => 2016
            [cn_sort] => 003-
            [topology_str] => bbe-3,3-Imma
            [sp_atoms] => 
            [caid] => 103
            [nn] => 1
            [name] => bco-C16
            [pressure] => 
            [density] => 
            [e_gap] => Semimetal
            [energy] => 
            [bulk_mod] => 315
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2016_PhysRevLett_116_195501
            [publ_year] => 2016
            [ref] => 
        )

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

SACADA Database Code: 103

Topology: bbe-3,3-Imma

# of independent nodes (IN): 2
Transitivity: [2331]
Space Group: Imma
Pearson: oI16
Coordination Number (CN): 3

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
bbe-3,3-Imma (SACADA #103)2.6070.351222.1153.717.9SACADA¹
bco-C16Semimetal315doi: 10.1103/PhysRevLett.116.195501 
Elasticity tensor (kBar)¹

7764.02252561.21131560.9132-0.00000.0000-0.0000
2561.21139326.1751597.22410.0000-0.0000-0.0000
1560.9132597.22411423.8616-0.00000.0000-0.0000
-0.00000.0000-0.00003473.0040-0.0000-0.0000
0.0000-0.00000.0000-0.0000847.45760.0000
-0.00000.0000-0.00000.00000.0000885.7414

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 
xxx