xxx 
Array
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    [0] => Array
        (
            [id] => 665
            [topology] => byl
            [link_rcsr] => http://rcsr.net/nets/byl
            [in_col] => 2
            [transitivity] => [2663]
            [space_group] => Imma
            [pearson] => oI24
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
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            [sp_atoms] => 
            [caid] => 142
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            [pressure] => 
            [density] => 3.420
            [e_gap] => 
            [energy] => 0.734
            [bulk_mod] => 424.0
            [shear_mod] => 460.6
            [vicker_hard] => 85.6
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

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            [vicker_hard] => 87.8
            [ref_file] => /References/2013_JChemPhys_138_114101
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            [ref] => 
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            [ref_file] => /References/2014_PhysLettA_3326_byl
            [publ_year] => 2014
            [ref] => 
        )

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            [id] => 668
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            [ref] => 
        )

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

SACADA Database Code: 142

Topology: byl

# of independent nodes (IN): 2
Transitivity: [2663]
Space Group: Imma
Pearson: oI24
Coordination Number (CN): 4

Year: 2013

 Download CIF File

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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
byl (SACADA #142)3.4200.734424.0460.685.6SACADA¹
Imma0-1003.37338144487.8doi: 10.1063/1.4794424 
Immadoi: 10.1016/j.physleta.2014.06.050 
Immadoi: 10.1088/0253-6102/64/2/237 
Immadoi: 10.1007/s10853-015-9266-8 
Elasticity tensor (kBar)¹

10904.2197826.12271129.2201-0.00000.0000-0.0000
826.122710680.4451553.29300.0000-0.0000-0.0000
1129.2201553.293011597.0788-0.00000.00000.0000
0.0000-0.0000-0.00003585.0955-0.00000.0000
-0.0000-0.00000.0000-0.00004353.6832-0.0000
-0.0000-0.00000.00000.0000-0.00005101.2570

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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