xxx 
Array
(
    [0] => Array
        (
            [id] => 1051
            [topology] => 4<sup>5</sup>T13
            [link_rcsr] => 
            [in_col] => 5
            [transitivity] => [5974]
            [space_group] => P21/m
            [pearson] => mP10
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => 4<sup>5</sup>T13
            [sp_atoms] => 
            [caid] => 245
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.408
            [e_gap] => 
            [energy] => 0.773
            [bulk_mod] => 417.5
            [shear_mod] => 463.9
            [vicker_hard] => 86.8
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1052
            [topology] => 4<sup>5</sup>T13
            [link_rcsr] => 
            [in_col] => 5
            [transitivity] => [5974]
            [space_group] => P21/m
            [pearson] => mP10
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => 4<sup>5</sup>T13
            [sp_atoms] => 
            [caid] => 245
            [nn] => 1
            [name] => P21/m
            [pressure] => 25.0
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 85.4
            [ref_file] => /References/2013_JChemPhys_138_114101
            [publ_year] => 2013
            [ref] => 
        )

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

SACADA Database Code: 245

Topology: 45T13

# of independent nodes (IN): 5
Transitivity: [5974]
Space Group: P21/m
Pearson: mP10
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
45T13 (SACADA #245)3.4080.773417.5463.986.8SACADA¹
P21/m25.085.4doi: 10.1063/1.4794424 
Elasticity tensor (kBar)¹

10963.5522315.83961099.95830.0000-0.0000423.7610
315.839611115.85191118.17820.0000-0.0000-65.2422
1099.95831118.178210432.9042-0.00000.0000374.5196
0.00000.0000-0.00003960.2546226.32210.0000
-0.0000-0.00000.0000226.32215303.72150.0000
423.7610-65.2422374.51960.00000.00004119.4200

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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