xxx 
Array
(
    [0] => Array
        (
            [id] => 311
            [topology] => uoc
            [link_rcsr] => http://rcsr.net/nets/uoc
            [in_col] => 1
            [transitivity] => [1231]
            [space_group] => I4122
            [pearson] => tI8
            [cn] => 4
            [Year] => 2004
            [cn_sort] => 004-
            [topology_str] => uoc
            [sp_atoms] => 
            [caid] => 51
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.246
            [e_gap] => 
            [energy] => 2.235
            [bulk_mod] => 291.8
            [shear_mod] => 189.7
            [vicker_hard] => 21.6
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 312
            [topology] => uoc
            [link_rcsr] => http://rcsr.net/nets/uoc
            [in_col] => 1
            [transitivity] => [1231]
            [space_group] => I4122
            [pearson] => tI8
            [cn] => 4
            [Year] => 2004
            [cn_sort] => 004-
            [topology_str] => uoc
            [sp_atoms] => 
            [caid] => 51
            [nn] => 1
            [name] => K
            [pressure] => 
            [density] => 3.176
            [e_gap] => Metal
            [energy] => 
            [bulk_mod] => 333.2
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2004_PhysRev_B_70_045101
            [publ_year] => 2004
            [ref] => 
        )

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

SACADA Database Code: 51

Topology: uoc

# of independent nodes (IN): 1
Transitivity: [1231]
Space Group: I4122
Pearson: tI8
Coordination Number (CN): 4

Year: 2004

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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
uoc (SACADA #51)3.2462.235291.8189.721.6SACADA¹
K3.176Metal333.2doi: 10.1103/PhysRevB.70.045101 
Elasticity tensor (kBar)¹

7859.07503009.40952990.10920.00000.00000.0000
3009.40953511.97691574.20940.0000-0.0000-0.0000
2990.10921574.20943520.54160.0000-0.0000-0.0000
-0.0000-0.00000.00003105.08510.0000-0.0000
0.0000-0.0000-0.00000.00002113.52990.0000
0.0000-0.0000-0.0000-0.00000.00003126.0433

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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