xxx 
Array
(
    [0] => Array
        (
            [id] => 1539
            [topology] => 4<sup>16</sup>T16
            [link_rcsr] => 
            [in_col] => 16
            [transitivity] => [(16)(24)(21)(13)]
            [space_group] => Cm
            [pearson] => mS32
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>16</sup>T16
            [sp_atoms] => 
            [caid] => 458
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.419
            [e_gap] => 
            [energy] => 0.777
            [bulk_mod] => 396.4
            [shear_mod] => 445.1
            [vicker_hard] => 83.5
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1540
            [topology] => 4<sup>16</sup>T16
            [link_rcsr] => 
            [in_col] => 16
            [transitivity] => [(16)(24)(21)(13)]
            [space_group] => Cm
            [pearson] => mS32
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>16</sup>T16
            [sp_atoms] => 
            [caid] => 458
            [nn] => 1
            [name] => G165
            [pressure] => 
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2017_ChemPhysChem_18_873
            [publ_year] => 2017
            [ref] => 
        )

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

SACADA Database Code: 458

Topology: 416T16

# of independent nodes (IN): 16
Transitivity: [(16)(24)(21)(13)]
Space Group: Cm
Pearson: mS32
Coordination Number (CN): 4

Year: 2017

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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
416T16 (SACADA #458)3.4190.777396.4445.183.5SACADA¹
G165doi: 10.1002/cphc.201700151 
Elasticity tensor (kBar)¹

10294.8884935.90021089.77010.0000-0.0000-190.0935
935.900210924.3138471.29300.0000-0.0000182.4971
1089.7701471.29309515.5795-0.00000.0000-358.1963
0.00000.0000-0.00005096.5260138.02300.0000
-0.0000-0.00000.0000138.02303915.5827-0.0000
-190.0935182.4971-358.19630.0000-0.00003972.6380

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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