xxx 
Array
(
    [0] => Array
        (
            [id] => 1397
            [topology] => 4<sup>2</sup>T261
            [link_rcsr] => 
            [in_col] => 2
            [transitivity] => [2783]
            [space_group] => Cmcm
            [pearson] => oS32
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>2</sup>T261
            [sp_atoms] => 
            [caid] => 387
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.282
            [e_gap] => 
            [energy] => 0.897
            [bulk_mod] => 376.1
            [shear_mod] => 397.5
            [vicker_hard] => 73.2
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1398
            [topology] => 4<sup>2</sup>T261
            [link_rcsr] => 
            [in_col] => 2
            [transitivity] => [2783]
            [space_group] => Cmcm
            [pearson] => oS32
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>2</sup>T261
            [sp_atoms] => 
            [caid] => 387
            [nn] => 1
            [name] => G76
            [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: 387

Topology: 42T261

# of independent nodes (IN): 2
Transitivity: [2783]
Space Group: Cmcm
Pearson: oS32
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
42T261 (SACADA #387)3.2820.897376.1397.573.2SACADA¹
G76doi: 10.1002/cphc.201700151 
Elasticity tensor (kBar)¹

9432.59831912.4381781.88430.0000-0.0000-0.0004
1912.43818570.043057.1361-0.0000-0.0000-0.0000
781.884357.136110435.1353-0.0000-0.0000-0.0005
0.0000-0.0000-0.00004030.8037-0.00020.0000
-0.0000-0.0000-0.0000-0.00023833.88980.0000
-0.0004-0.0000-0.00050.00000.00003613.2421

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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