SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 1521
            [topology] => 4<sup>14</sup>T3
            [link_rcsr] => 
            [in_col] => 14
            [transitivity] => [(14)(28)(17)3]
            [space_group] => P1
            [pearson] => aP14
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>14</sup>T3
            [sp_atoms] => 
            [caid] => 449
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.427
            [e_gap] => 
            [energy] => 0.881
            [bulk_mod] => 403.1
            [shear_mod] => 446.6
            [vicker_hard] => 83.5
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1522
            [topology] => 4<sup>14</sup>T3
            [link_rcsr] => 
            [in_col] => 14
            [transitivity] => [(14)(28)(17)3]
            [space_group] => P1
            [pearson] => aP14
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>14</sup>T3
            [sp_atoms] => 
            [caid] => 449
            [nn] => 1
            [name] => G156
            [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: 449

Topology: 4¹⁴T3

# of independent nodes (IN): 14
Transitivity: [(14)(28)(17)3]
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
4¹⁴T3 (SACADA #449)		3.427		0.881	403.1	446.6	83.5	SACADA¹
G156								doi: 10.1002/cphc.201700151

Elasticity tensor (kBar)¹

8681.4217	1274.0736	1477.2427	-257.2506	48.4369	238.9661
1274.0736	10210.6797	1035.4502	27.2312	-143.7965	67.0767
1477.2427	1035.4502	9866.4105	127.6345	-151.9431	-120.7503
-257.2506	27.2312	127.6345	4640.6731	141.6041	-241.4435
48.4369	-143.7965	-151.9431	141.6041	4635.3387	18.3846
238.9661	67.0767	-120.7503	-241.4435	18.3846	4830.2554

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