xxx 
Array
(
    [0] => Array
        (
            [id] => 1241
            [topology] => jcc33
            [link_rcsr] => 
            [in_col] => 10
            [transitivity] => [(10)(19)(15)6]
            [space_group] => Im
            [pearson] => mS32
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => jcc33
            [sp_atoms] => 
            [caid] => 317
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.315
            [e_gap] => 
            [energy] => 0.747
            [bulk_mod] => 393.3
            [shear_mod] => 402.8
            [vicker_hard] => 73.2
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1242
            [topology] => jcc33
            [link_rcsr] => 
            [in_col] => 10
            [transitivity] => [(10)(19)(15)6]
            [space_group] => Im
            [pearson] => mS32
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => jcc33
            [sp_atoms] => 
            [caid] => 317
            [nn] => 1
            [name] => Cm-32
            [pressure] => 24.0
            [density] => 3.268
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 83.1
            [ref_file] => /References/2013_JChemPhys_138_114101
            [publ_year] => 2013
            [ref] => 
        )

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

SACADA Database Code: 317

Topology: jcc33

# of independent nodes (IN): 10
Transitivity: [(10)(19)(15)6]
Space Group: Im
Pearson: mS32
Coordination Number (CN): 4

Year: 2013

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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
jcc33 (SACADA #317)3.3150.747393.3402.873.2SACADA¹
Cm-3224.03.26883.1doi: 10.1063/1.4794424 
Elasticity tensor (kBar)¹

9883.37361100.55271229.7485-0.0000-0.0000247.3727
1100.552710286.2037440.43510.00000.0000161.4791
1229.7485440.43519705.02050.00000.0000-325.5114
-0.00000.00000.00003871.9137101.19470.0000
-0.0000-0.00000.0000101.19473396.6286-0.0000
247.3727161.4791-325.51140.0000-0.00003968.2206

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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