xxx 
Array
(
    [0] => Array
        (
            [id] => 1575
            [topology] => 4<sup>3</sup>T181
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3763]
            [space_group] => C2/c
            [pearson] => mS24
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>3</sup>T181
            [sp_atoms] => 
            [caid] => 476
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.323
            [e_gap] => 
            [energy] => 0.994
            [bulk_mod] => 369.5
            [shear_mod] => 396.6
            [vicker_hard] => 73.4
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

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            [id] => 1576
            [topology] => 4<sup>3</sup>T181
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            [pearson] => mS24
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>3</sup>T181
            [sp_atoms] => 
            [caid] => 476
            [nn] => 1
            [name] => G184
            [pressure] => 
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            [ref_file] => /References/2017_ChemPhysChem_18_873
            [publ_year] => 2017
            [ref] => 
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)
General information SACADA Check your allotrope Cite this: Angew. Chem. Int. Ed. 2016, 55, 10962–10976 

SACADA Database Code: 476

Topology: 43T181

# of independent nodes (IN): 3
Transitivity: [3763]
Space Group: C2/c
Pearson: mS24
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
43T181 (SACADA #476)3.3230.994369.5396.673.4SACADA¹
G184doi: 10.1002/cphc.201700151 
Elasticity tensor (kBar)¹

9781.01851113.5317700.4480-0.0000-0.0000-525.1872
1113.53179272.7492512.3681-0.0000-0.0000531.9750
700.4480512.36819566.1665-0.0000-0.0000-101.6177
-0.0000-0.0000-0.00004263.8821-55.12260.0000
-0.0000-0.00000.0000-55.12262866.3989-0.0000
-525.1872531.9750-101.61770.0000-0.00004210.3667

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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