xxx 
Array
(
    [0] => Array
        (
            [id] => 613
            [topology] => los-3,4-P6/mmm
            [link_rcsr] => 
            [in_col] => 2
            [transitivity] => [2452]
            [space_group] => P6/mmm
            [pearson] => hP12
            [cn] => 3, 4 (1:1)
            [Year] => 2014
            [cn_sort] => 003-004-001-001-
            [topology_str] => los-3,4-P6/mmm
            [sp_atoms] => 
            [caid] => 129
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 2.882
            [e_gap] => 
            [energy] => 0.895
            [bulk_mod] => 336.5
            [shear_mod] => 255.4
            [vicker_hard] => 33.1
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 614
            [topology] => los-3,4-P6/mmm
            [link_rcsr] => 
            [in_col] => 2
            [transitivity] => [2452]
            [space_group] => P6/mmm
            [pearson] => hP12
            [cn] => 3, 4 (1:1)
            [Year] => 2014
            [cn_sort] => 003-004-001-001-
            [topology_str] => los-3,4-P6/mmm
            [sp_atoms] => 
            [caid] => 129
            [nn] => 1
            [name] => hP12-carbon
            [pressure] => 
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 339.8
            [shear_mod] => 266.6
            [vicker_hard] => 36.4
            [ref_file] => /References/2014_JSupHardMat_36_257
            [publ_year] => 2014
            [ref] => 
        )

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

SACADA Database Code: 129

Topology: los-3,4-P6/mmm

# of independent nodes (IN): 2
Transitivity: [2452]
Space Group: P6/mmm
Pearson: hP12
Coordination Number (CN): 3, 4 (1:1)

Year: 2014

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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
los-3,4-P6/mmm (SACADA #129)2.8820.895336.5255.433.1SACADA¹
hP12-carbon339.8266.636.4doi: 10.3103/s1063457614040042 
Elasticity tensor (kBar)¹

6233.87772498.7809565.90070.0000-0.00000.0000
2498.78096233.8777565.9007-0.00000.0000-0.0000
565.9007565.900710800.3142-0.0000-0.00000.0000
0.0000-0.0000-0.00001867.5484-0.0000-0.0000
-0.00000.0000-0.0000-0.00002540.0408-0.0000
0.0000-0.00000.0000-0.00000.00002540.0409

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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