xxx 
Array
(
    [0] => Array
        (
            [id] => 1015
            [topology] => 3<sup>5</sup>T2
            [link_rcsr] => 
            [in_col] => 5
            [transitivity] => [5632]
            [space_group] => Imm2
            [pearson] => oI12
            [cn] => 3
            [Year] => 2001
            [cn_sort] => 003-
            [topology_str] => 3<sup>5</sup>T2
            [sp_atoms] => 
            [caid] => 236
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 2.214
            [e_gap] => 
            [energy] => 1.357
            [bulk_mod] => 228.7
            [shear_mod] => 64.9
            [vicker_hard] => 10.1
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1016
            [topology] => 3<sup>5</sup>T2
            [link_rcsr] => 
            [in_col] => 5
            [transitivity] => [5632]
            [space_group] => Imm2
            [pearson] => oI12
            [cn] => 3
            [Year] => 2001
            [cn_sort] => 003-
            [topology_str] => 3<sup>5</sup>T2
            [sp_atoms] => 
            [caid] => 236
            [nn] => 1
            [name] => 6(3)3-27
            [pressure] => 
            [density] => 2.24
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2001_ChemPhysLet_337_36
            [publ_year] => 2001
            [ref] => 
        )

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

SACADA Database Code: 236

Topology: 35T2

# of independent nodes (IN): 5
Transitivity: [5632]
Space Group: Imm2
Pearson: oI12
Coordination Number (CN): 3

Year: 2001

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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
35T2 (SACADA #236)2.2141.357228.764.910.1SACADA¹
6(3)3-272.24doi: 10.1016/S0009-2614(01)00126-9 
Elasticity tensor (kBar)¹

3350.6425460.92731032.1091-0.00000.00000.0000
460.92734594.49622013.2122-0.0000-0.0000-0.0000
1032.10912013.21227466.70850.0000-0.0000-0.0000
-0.0000-0.00000.000070.4004-0.0000-0.0000
0.0000-0.0000-0.0000-0.0000570.7523-0.0000
0.0000-0.0000-0.0000-0.0000-0.0000565.7686

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 – 2024 SCTMS  Team References support@sacada.info Cite this: Angew. Chem. Int. Ed. 2016, 55, 10962–10976 
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