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Array
(
    [0] => Array
        (
            [id] => 1251
            [topology] => nas-d
            [link_rcsr] => http://rcsr.net/nets/nas-d
            [in_col] => 11
            [transitivity] => [(11)(20)(13)3]
            [space_group] => Pa-3
            [pearson] => cP232
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => nas-d
            [sp_atoms] => 
            [caid] => 322
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => -
            [e_gap] => 
            [energy] => -
            [bulk_mod] => -
            [shear_mod] => -
            [vicker_hard] => -
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1252
            [topology] => nas-d
            [link_rcsr] => http://rcsr.net/nets/nas-d
            [in_col] => 11
            [transitivity] => [(11)(20)(13)3]
            [space_group] => Pa-3
            [pearson] => cP232
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => nas-d
            [sp_atoms] => 
            [caid] => 322
            [nn] => 1
            [name] => KXI
            [pressure] => 
            [density] => 3.00
            [e_gap] => 3.92
            [energy] => 
            [bulk_mod] => 355.1
            [shear_mod] => 
            [vicker_hard] => 81.8
            [ref_file] => /References/2013_JChemPhys138_164703_KelvinC
            [publ_year] => 2013
            [ref] => 
        )

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

SACADA Database Code: 322

Topology: nas-d

# of independent nodes (IN): 11
Transitivity: [(11)(20)(13)3]
Space Group: Pa-3
Pearson: cP232
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
nas-d (SACADA #322)-----SACADA¹
KXI3.003.92355.181.8doi: 10.1063/1.4802002 

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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