xxx 
Array
(
    [0] => Array
        (
            [id] => 1465
            [topology] => 4<sup>16</sup>T10
            [link_rcsr] => 
            [in_col] => 16
            [transitivity] => [(16)(32)(29)(13)]
            [space_group] => P1
            [pearson] => aP16
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>16</sup>T10
            [sp_atoms] => 
            [caid] => 421
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.394
            [e_gap] => 
            [energy] => 0.909
            [bulk_mod] => 394.1
            [shear_mod] => 427.6
            [vicker_hard] => 79.4
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1466
            [topology] => 4<sup>16</sup>T10
            [link_rcsr] => 
            [in_col] => 16
            [transitivity] => [(16)(32)(29)(13)]
            [space_group] => P1
            [pearson] => aP16
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>16</sup>T10
            [sp_atoms] => 
            [caid] => 421
            [nn] => 1
            [name] => G121
            [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: 421

Topology: 416T10

# of independent nodes (IN): 16
Transitivity: [(16)(32)(29)(13)]
Space Group: P1
Pearson: aP16
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
416T10 (SACADA #421)3.3940.909394.1427.679.4SACADA¹
G121doi: 10.1002/cphc.201700151 
Elasticity tensor (kBar)¹

8715.68931304.34911487.5243-21.4335195.1787-18.5497
1304.34919974.6686681.7215110.4096-531.7291-29.4509
1487.5243681.72159867.42417.5345-117.6119-63.8182
-21.4335110.40967.53454607.8430-9.0316-55.9854
195.1787-531.7291-117.6119-9.03164164.038531.5274
-18.5497-29.4509-63.8182-55.985431.52744351.7828

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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