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Array
(
    [0] => Array
        (
            [id] => 627
            [topology] => 4<sup>2</sup>T109
            [link_rcsr] => 
            [in_col] => 2
            [transitivity] => [2543]
            [space_group] => C2
            [pearson] => mS8
            [cn] => 4
            [Year] => 2004
            [cn_sort] => 004-
            [topology_str] => 4<sup>2</sup>T109
            [sp_atoms] => 
            [caid] => 135
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 2.962
            [e_gap] => 
            [energy] => 1.922
            [bulk_mod] => 228.6
            [shear_mod] => 219.8
            [vicker_hard] => 38.5
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 628
            [topology] => 4<sup>2</sup>T109
            [link_rcsr] => 
            [in_col] => 2
            [transitivity] => [2543]
            [space_group] => C2
            [pearson] => mS8
            [cn] => 4
            [Year] => 2004
            [cn_sort] => 004-
            [topology_str] => 4<sup>2</sup>T109
            [sp_atoms] => 
            [caid] => 135
            [nn] => 1
            [name] => I
            [pressure] => 
            [density] => 2.865
            [e_gap] => 0.9
            [energy] => 
            [bulk_mod] => 154.0
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2004_PhysRev_B_70_045101
            [publ_year] => 2004
            [ref] => 
        )

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

SACADA Database Code: 135

Topology: 42T109

# of independent nodes (IN): 2
Transitivity: [2543]
Space Group: C2
Pearson: mS8
Coordination Number (CN): 4

Year: 2004

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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
42T109 (SACADA #135)2.9621.922228.6219.838.5SACADA¹
I2.8650.9154.0doi: 10.1103/PhysRevB.70.045101 
Elasticity tensor (kBar)¹

2864.4869423.23841029.43050.0000-0.0000357.8953
423.23845362.35911751.4662-0.0000-0.000034.1083
1029.43051751.46628701.4748-0.0000-0.00001365.5557
0.0000-0.0000-0.00001752.81484.9789-0.0000
-0.0000-0.0000-0.00004.97892855.73250.0000
357.895334.10831365.5557-0.00000.00002355.4383

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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