xxx 
Array
(
    [0] => Array
        (
            [id] => 883
            [topology] => cla
            [link_rcsr] => http://rcsr.net/nets/cla
            [in_col] => 4
            [transitivity] => [4652]
            [space_group] => I-43m
            [pearson] => cI82
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => cla
            [sp_atoms] => 
            [caid] => 211
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.039
            [e_gap] => 
            [energy] => 0.796
            [bulk_mod] => 370.1
            [shear_mod] => 395.9
            [vicker_hard] => 73.2
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 884
            [topology] => cla
            [link_rcsr] => http://rcsr.net/nets/cla
            [in_col] => 4
            [transitivity] => [4652]
            [space_group] => I-43m
            [pearson] => cI82
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => cla
            [sp_atoms] => 
            [caid] => 211
            [nn] => 1
            [name] => KIV
            [pressure] => 
            [density] => 3.01
            [e_gap] => 4.08
            [energy] => 
            [bulk_mod] => 354.2
            [shear_mod] => 
            [vicker_hard] => 81.7
            [ref_file] => /References/2013_JChemPhys138_164703_KelvinC
            [publ_year] => 2013
            [ref] => 
        )

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

SACADA Database Code: 211

Topology: cla

# of independent nodes (IN): 4
Transitivity: [4652]
Space Group: I-43m
Pearson: cI82
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
cla (SACADA #211)3.0390.796370.1395.973.2SACADA¹
KIV3.014.08354.281.7doi: 10.1063/1.4802002 
Elasticity tensor (kBar)¹

9050.23271026.36061026.36060.00000.0000-0.0000
1026.36069050.23271026.3606-0.00000.00000.0000
1026.36061026.36069050.23270.00000.0000-0.0000
-0.0000-0.00000.00003922.73970.0000-0.0000
0.0000-0.00000.00000.00003922.7397-0.0000
0.00000.0000-0.0000-0.0000-0.00003922.7397

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 
xxx