xxx 
Array
(
    [0] => Array
        (
            [id] => 1853
            [topology] => bay
            [link_rcsr] => 
            [in_col] => 2
            [transitivity] => [2455]
            [space_group] => P6/mmm
            [pearson] => hP16
            [cn] => 4
            [Year] => 2021
            [cn_sort] => 004-
            [topology_str] => bay
            [sp_atoms] => 
            [caid] => 615
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.222
            [e_gap] => 
            [energy] => 0.443
            [bulk_mod] => 366.8
            [shear_mod] => 290.0
            [vicker_hard] => 40.1
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1854
            [topology] => bay
            [link_rcsr] => 
            [in_col] => 2
            [transitivity] => [2455]
            [space_group] => P6/mmm
            [pearson] => hP16
            [cn] => 4
            [Year] => 2021
            [cn_sort] => 004-
            [topology_str] => bay
            [sp_atoms] => 
            [caid] => 615
            [nn] => 1
            [name] => bay
            [pressure] => 
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2021_npjComputMater_7_15
            [publ_year] => 2021
            [ref] => doi:&nbsp;<a href="http://doi.org/10.1038/s41524-021-00491-y" target="_blank">10.1038/s41524-021-00491-y</a>
        )

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

SACADA Database Code: 615

Topology: bay

# of independent nodes (IN): 2
Transitivity: [2455]
Space Group: P6/mmm
Pearson: hP16
Coordination Number (CN): 4

Year: 2021

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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
bay (SACADA #615)3.2220.443366.8290.040.1SACADA¹
baydoi: 10.1038/s41524-021-00491-y 
Elasticity tensor (kBar)¹

10017.59281426.4114859.1033-0.0000-0.0000-0.0000
1426.411410017.5928859.1033-0.00000.00000.0000
859.1033859.10337197.0398-0.00000.00000.0000
-0.0000-0.0000-0.00004295.5907-0.00000.0000
-0.0000-0.00000.0000-0.00001737.1967-0.0000
-0.00000.0000-0.0000-0.0000-0.00001737.1964

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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