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Array
(
    [0] => Array
        (
            [id] => 1281
            [topology] => ajk11
            [link_rcsr] => 
            [in_col] => 14
            [transitivity] => [(14)(24)(23)(16)]
            [space_group] => P6/mmm
            [pearson] => hP170
            [cn] => 4
            [Year] => 2011
            [cn_sort] => 004-
            [topology_str] => ajk11
            [sp_atoms] => 
            [caid] => 335
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => -
            [e_gap] => 
            [energy] => -
            [bulk_mod] => -
            [shear_mod] => -
            [vicker_hard] => -
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1282
            [topology] => ajk11
            [link_rcsr] => 
            [in_col] => 14
            [transitivity] => [(14)(24)(23)(16)]
            [space_group] => P6/mmm
            [pearson] => hP170
            [cn] => 4
            [Year] => 2011
            [cn_sort] => 004-
            [topology_str] => ajk11
            [sp_atoms] => 
            [caid] => 335
            [nn] => 1
            [name] => Clathrate H-100
            [pressure] => 
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2011_InorgChem_50_1733_1742_1733
            [publ_year] => 2011
            [ref] => 
        )

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

SACADA Database Code: 335

Topology: ajk11

# of independent nodes (IN): 14
Transitivity: [(14)(24)(23)(16)]
Space Group: P6/mmm
Pearson: hP170
Coordination Number (CN): 4

Year: 2011

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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
ajk11 (SACADA #335)-----SACADA¹
Clathrate H-100doi: 10.1021/ic102178d 

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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