xxx 
Array
(
    [0] => Array
        (
            [id] => 875
            [topology] => 3<sup>3</sup>,4T27
            [link_rcsr] => 
            [in_col] => 4
            [transitivity] => [4531]
            [space_group] => Cmcm
            [pearson] => oS28
            [cn] => 3, 4 (1:1)
            [Year] => 2013
            [cn_sort] => 003-004-001-001-
            [topology_str] => 3<sup>3</sup>,4T27
            [sp_atoms] => 
            [caid] => 207
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 1.545
            [e_gap] => 
            [energy] => 0.646
            [bulk_mod] => 161.1
            [shear_mod] => 81.2
            [vicker_hard] => 10.5
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 876
            [topology] => 3<sup>3</sup>,4T27
            [link_rcsr] => 
            [in_col] => 4
            [transitivity] => [4531]
            [space_group] => Cmcm
            [pearson] => oS28
            [cn] => 3, 4 (1:1)
            [Year] => 2013
            [cn_sort] => 003-004-001-001-
            [topology_str] => 3<sup>3</sup>,4T27
            [sp_atoms] => 
            [caid] => 207
            [nn] => 1
            [name] => ZGM-28
            [pressure] => 
            [density] => 1.53
            [e_gap] => 0.99
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2013_AdvFunctMater
            [publ_year] => 2013
            [ref] => 
        )

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

SACADA Database Code: 207

Topology: 33,4T27

# of independent nodes (IN): 4
Transitivity: [4531]
Space Group: Cmcm
Pearson: oS28
Coordination Number (CN): 3, 4 (1:1)

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
33,4T27 (SACADA #207)1.5450.646161.181.210.5SACADA¹
ZGM-281.530.99doi: 10.1002/adfm.201301077 
Elasticity tensor (kBar)¹

2184.62711831.9093609.52720.00000.0000-0.0000
1831.90931664.6756488.6447-0.0000-0.00000.0000
609.5272488.64477134.52870.0000-0.00000.0000
0.0000-0.00000.00001458.12420.0000-0.0000
0.0000-0.0000-0.00000.00001419.35360.0000
-0.00000.00000.0000-0.0000-0.00001701.2235

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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