xxx 
Array
(
    [0] => Array
        (
            [id] => 1076
            [topology] => 4<sup>6</sup>T15
            [link_rcsr] => 
            [in_col] => 6
            [transitivity] => [6985]
            [space_group] => Pmn21
            [pearson] => oP12
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => 4<sup>6</sup>T15
            [sp_atoms] => 
            [caid] => 256
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.444
            [e_gap] => 
            [energy] => 0.677
            [bulk_mod] => 427.0
            [shear_mod] => 477.6
            [vicker_hard] => 89.4
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1077
            [topology] => 4<sup>6</sup>T15
            [link_rcsr] => 
            [in_col] => 6
            [transitivity] => [6985]
            [space_group] => Pmn21
            [pearson] => oP12
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => 4<sup>6</sup>T15
            [sp_atoms] => 
            [caid] => 256
            [nn] => 1
            [name] => 12D
            [pressure] => 20
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2013_PhysRev_B_88_014102
            [publ_year] => 2013
            [ref] => 
        )

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

SACADA Database Code: 256

Topology: 46T15

# of independent nodes (IN): 6
Transitivity: [6985]
Space Group: Pmn21
Pearson: oP12
Coordination Number (CN): 4

Year: 2013

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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
46T15 (SACADA #256)3.4440.677427.0477.689.4SACADA¹
12D20doi: 10.1103/PhysRevB.88.014102 
Elasticity tensor (kBar)¹

11386.1708501.50011025.5845-0.0000-0.0000-0.0000
501.500110236.64731256.1833-0.0000-0.00000.0000
1025.58451256.183311314.51310.00000.0000-0.0000
-0.0000-0.00000.00004023.91250.00000.0000
-0.0000-0.0000-0.00000.00004601.81070.0000
-0.00000.0000-0.00000.00000.00005338.5796

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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