xxx 
Array
(
    [0] => Array
        (
            [id] => 408
            [topology] => und
            [link_rcsr] => http://rcsr.net/nets/und
            [in_col] => 1
            [transitivity] => [1332]
            [space_group] => I41/acd
            [pearson] => tI16
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => und
            [sp_atoms] => 
            [caid] => 69
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.237
            [e_gap] => 
            [energy] => 1.528
            [bulk_mod] => -
            [shear_mod] => -
            [vicker_hard] => -
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 409
            [topology] => und
            [link_rcsr] => http://rcsr.net/nets/und
            [in_col] => 1
            [transitivity] => [1332]
            [space_group] => I41/acd
            [pearson] => tI16
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => und
            [sp_atoms] => 
            [caid] => 69
            [nn] => 1
            [name] => und
            [pressure] => 
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2013_ZKristallogr_228_343_346
            [publ_year] => 2013
            [ref] => 
        )

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

SACADA Database Code: 69

Topology: und

# of independent nodes (IN): 1
Transitivity: [1332]
Space Group: I41/acd
Pearson: tI16
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
und (SACADA #69)3.2371.528---SACADA¹
unddoi: 10.1524/zkri.2013.1620 
Elasticity tensor (kBar)¹

4713.53292303.6217-94.8169-0.0000-0.00000.0000
2303.62174713.5329-94.81690.0000-0.00000.0000
-94.8169-94.816914104.57110.0000-0.0000-0.0000
-0.0000-0.0000-0.0000638.8487-0.00000.0000
0.0000-0.00000.0000-0.0000-14584.29350.0000
-0.00000.0000-0.00000.0000-0.0000-14584.2907

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