SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 1549
            [topology] => 4<sup>16</sup>T20
            [link_rcsr] => 
            [in_col] => 16
            [transitivity] => [(16)(32)(26)(10)]
            [space_group] => P1
            [pearson] => aP16
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>16</sup>T20
            [sp_atoms] => 
            [caid] => 463
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.340
            [e_gap] => 
            [energy] => 0.800
            [bulk_mod] => 388.1
            [shear_mod] => 407.6
            [vicker_hard] => 74.9
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1550
            [topology] => 4<sup>16</sup>T20
            [link_rcsr] => 
            [in_col] => 16
            [transitivity] => [(16)(32)(26)(10)]
            [space_group] => P1
            [pearson] => aP16
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>16</sup>T20
            [sp_atoms] => 
            [caid] => 463
            [nn] => 1
            [name] => G171
            [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: 463

Topology: 4¹⁶T20

# of independent nodes (IN): 16
Transitivity: [(16)(32)(26)(10)]
Space Group: P1
Pearson: aP16
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
4¹⁶T20 (SACADA #463)		3.340		0.800	388.1	407.6	74.9	SACADA¹
G171								doi: 10.1002/cphc.201700151

Elasticity tensor (kBar)¹

9144.2313	758.8291	1196.5933	45.5929	-82.8138	-660.8321
758.8291	9625.1792	1489.0107	142.7668	261.4162	302.3677
1196.5933	1489.0107	9298.6819	106.8402	-196.6373	443.6296
45.5929	142.7668	106.8402	3905.9909	232.3804	64.1858
-82.8138	261.4162	-196.6373	232.3804	4438.5801	188.3111
-660.8321	302.3677	443.6296	64.1858	188.3111	3877.8335

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