xxx 
Array
(
    [0] => Array
        (
            [id] => 1523
            [topology] => 4<sup>10</sup>T11
            [link_rcsr] => 
            [in_col] => 10
            [transitivity] => [(10)(20)(11)1]
            [space_group] => P1
            [pearson] => aP10
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>10</sup>T11
            [sp_atoms] => 
            [caid] => 450
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.284
            [e_gap] => 
            [energy] => 0.793
            [bulk_mod] => 386.6
            [shear_mod] => 406.4
            [vicker_hard] => 74.7
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1524
            [topology] => 4<sup>10</sup>T11
            [link_rcsr] => 
            [in_col] => 10
            [transitivity] => [(10)(20)(11)1]
            [space_group] => P1
            [pearson] => aP10
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>10</sup>T11
            [sp_atoms] => 
            [caid] => 450
            [nn] => 1
            [name] => G157
            [pressure] => 
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2017_ChemPhysChem_18_873
            [publ_year] => 2017
            [ref] => 
        )

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

SACADA Database Code: 450

Topology: 410T11

# of independent nodes (IN): 10
Transitivity: [(10)(20)(11)1]
Space Group: P1
Pearson: aP10
Coordination Number (CN): 4

Year: 2017

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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
410T11 (SACADA #450)3.2840.793386.6406.474.7SACADA¹
G157doi: 10.1002/cphc.201700151 
Elasticity tensor (kBar)¹

8486.89231630.92661040.0839-53.9078-81.9744-50.2309
1630.92668532.72941283.1333-76.925996.321569.1834
1040.08391283.13339915.196460.6464252.2004-95.3643
-53.9078-76.925960.64644318.8916-104.8582-4.2246
-81.974496.3215252.2004-104.85823872.4015-177.4240
-50.230969.1834-95.3643-4.2246-177.42404584.0502

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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