SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 1629
            [topology] => 4<sup>14</sup>T5
            [link_rcsr] => 
            [in_col] => 14
            [transitivity] => [(14)(28)(29)(15)]
            [space_group] => P1
            [pearson] => aP14
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>14</sup>T5
            [sp_atoms] => 
            [caid] => 503
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.448
            [e_gap] => 
            [energy] => 1.026
            [bulk_mod] => 381.9
            [shear_mod] => 433.6
            [vicker_hard] => 81.5
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1630
            [topology] => 4<sup>14</sup>T5
            [link_rcsr] => 
            [in_col] => 14
            [transitivity] => [(14)(28)(29)(15)]
            [space_group] => P1
            [pearson] => aP14
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>14</sup>T5
            [sp_atoms] => 
            [caid] => 503
            [nn] => 1
            [name] => G216
            [pressure] => 
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2017_ChemPhysChem_18_873
            [publ_year] => 2017
            [ref] => 
        )

)

SACADA Database Code: 503

Topology: 4¹⁴T5

# of independent nodes (IN): 14
Transitivity: [(14)(28)(29)(15)]
Space Group: P1
Pearson: aP14
Coordination Number (CN): 4

Year: 2017

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Data

Name	Pressure, GPa	Density, g/cm³	Gap, eV	Relative energy, eV/atom	Bulk, GPa	Shear, GPa	Vickers, GPa	Refs
4¹⁴T5 (SACADA #503)		3.448		1.026	381.9	433.6	81.5	SACADA¹
G216								doi: 10.1002/cphc.201700151

Elasticity tensor (kBar)¹

11330.1982	556.5527	513.6441	-95.1452	42.2085	-110.5511
556.5527	9106.9358	1388.2568	-159.7456	-584.8830	-177.2061
513.6441	1388.2568	9079.4177	144.9367	518.2400	185.7624
-95.1452	-159.7456	144.9367	4472.1796	43.0320	-80.3958
42.2085	-584.8830	518.2400	43.0320	4081.7667	144.7171
-110.5511	-177.2061	185.7624	-80.3958	144.7171	4317.3044

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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Team References support@sacada.info Cite this: Angew. Chem. Int. Ed. 2016, 55, 10962–10976