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Array
(
    [0] => Array
        (
            [id] => 1320
            [topology] => 4<sup>22</sup>T1
            [link_rcsr] => 
            [in_col] => 22
            [transitivity] => [(22)(33)(31)(20)]
            [space_group] => Pm
            [pearson] => mP22
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => 4<sup>22</sup>T1
            [sp_atoms] => 
            [caid] => 350
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.465
            [e_gap] => 
            [energy] => 0.635
            [bulk_mod] => 418.0
            [shear_mod] => 483.9
            [vicker_hard] => 91.3
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1321
            [topology] => 4<sup>22</sup>T1
            [link_rcsr] => 
            [in_col] => 22
            [transitivity] => [(22)(33)(31)(20)]
            [space_group] => Pm
            [pearson] => mP22
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => 4<sup>22</sup>T1
            [sp_atoms] => 
            [caid] => 350
            [nn] => 1
            [name] => 22A
            [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: 350

Topology: 422T1

# of independent nodes (IN): 22
Transitivity: [(22)(33)(31)(20)]
Space Group: Pm
Pearson: mP22
Coordination Number (CN): 4

Year: 2013

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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
422T1 (SACADA #350)3.4650.635418.0483.991.3SACADA¹
22A20doi: 10.1103/PhysRevB.88.014102 
Elasticity tensor (kBar)¹

10737.3949938.1571675.9362-0.0000-0.0000-81.3547
938.157111216.6864444.36140.00000.000077.8503
675.9362444.361411558.09380.00000.0000-3.1411
-0.00000.00000.00004998.552877.6173-0.0000
-0.00000.00000.000077.61734615.8482-0.0000
-81.354777.8503-3.1411-0.0000-0.00004193.4871

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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