xxx 
Array
(
    [0] => Array
        (
            [id] => 1316
            [topology] => 4<sup>20</sup>T3
            [link_rcsr] => 
            [in_col] => 14
            [transitivity] => [(20)(32)(31)(19)]
            [space_group] => P2/m
            [pearson] => mP40
            [cn] => 4
            [Year] => 2016
            [cn_sort] => 004-
            [topology_str] => 4<sup>20</sup>T3
            [sp_atoms] => 
            [caid] => 348
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.509
            [e_gap] => 
            [energy] => 0.604
            [bulk_mod] => 422.9
            [shear_mod] => 495.0
            [vicker_hard] => 93.6
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1317
            [topology] => 4<sup>20</sup>T3
            [link_rcsr] => 
            [in_col] => 14
            [transitivity] => [(20)(32)(31)(19)]
            [space_group] => P2/m
            [pearson] => mP40
            [cn] => 4
            [Year] => 2016
            [cn_sort] => 004-
            [topology_str] => 4<sup>20</sup>T3
            [sp_atoms] => 
            [caid] => 348
            [nn] => 1
            [name] => 9
            [pressure] => 
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2016_PhysRevB_93_085201
            [publ_year] => 2016
            [ref] => 
        )

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

SACADA Database Code: 348

Topology: 420T3

# of independent nodes (IN): 14
Transitivity: [(20)(32)(31)(19)]
Space Group: P2/m
Pearson: mP40
Coordination Number (CN): 4

Year: 2016

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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
420T3 (SACADA #348)3.5090.604422.9495.093.6SACADA¹
9doi: 10.1103/PhysRevB.93.085201 
Elasticity tensor (kBar)¹

10938.3039277.54341261.03130.00000.00001.7360
277.543411281.94371221.0794-0.0000-0.00000.3294
1261.03131221.079410320.6970-0.0000-0.00009.1574
0.0000-0.0000-0.00004372.18800.0980-0.0000
0.0000-0.0000-0.00000.09805397.7225-0.0000
1.73600.32949.1574-0.0000-0.00005160.0694

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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