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Array
(
    [0] => Array
        (
            [id] => 1366
            [topology] => 4<sup>3</sup>T171
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3873]
            [space_group] => C2/c
            [pearson] => mS20
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>3</sup>T171
            [sp_atoms] => 
            [caid] => 372
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.469
            [e_gap] => 
            [energy] => 0.954
            [bulk_mod] => 389.4
            [shear_mod] => 445.8
            [vicker_hard] => 83.9
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1367
            [topology] => 4<sup>3</sup>T171
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3873]
            [space_group] => C2/c
            [pearson] => mS20
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>3</sup>T171
            [sp_atoms] => 
            [caid] => 372
            [nn] => 1
            [name] => G39
            [pressure] => 
            [density] => 
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            [vicker_hard] => 
            [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: 372

Topology: 43T171

# of independent nodes (IN): 3
Transitivity: [3873]
Space Group: C2/c
Pearson: mS20
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
43T171 (SACADA #372)3.4690.954389.4445.883.9SACADA¹
G39doi: 10.1002/cphc.201700151 
Elasticity tensor (kBar)¹

9215.64831478.4259853.0317-0.0000-0.0000341.2105
1478.42599243.6174217.75110.0000-0.0000-391.2393
853.0317217.751111560.4820-0.0000-0.0000191.1453
-0.0000-0.0000-0.00004250.6807-184.9006-0.0000
0.0000-0.0000-0.0000-184.90064002.1567-0.0000
341.2105-391.2393191.1453-0.0000-0.00005070.6909

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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