SACADA 3D

xxx

Array
(
    [0] => Array
        (
            [id] => 1669
            [topology] => 4<sup>2</sup>T285
            [link_rcsr] => 
            [in_col] => 2
            [transitivity] => [2553]
            [space_group] => Pbcn
            [pearson] => oP16
            [cn] => 4
            [Year] => 2019
            [cn_sort] => 004-
            [topology_str] => 4^2T285
            [sp_atoms] => 
            [caid] => 523
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.475
            [e_gap] => 
            [energy] => 0.470
            [bulk_mod] => 408.3
            [shear_mod] => 450.5
            [vicker_hard] => 84.1
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1670
            [topology] => 4<sup>2</sup>T285
            [link_rcsr] => 
            [in_col] => 2
            [transitivity] => [2553]
            [space_group] => Pbcn
            [pearson] => oP16
            [cn] => 4
            [Year] => 2019
            [cn_sort] => 004-
            [topology_str] => 4^2T285
            [sp_atoms] => 
            [caid] => 523
            [nn] => 1
            [name] => 4,4T285
            [pressure] => 
            [density] => 3.449
            [e_gap] => 2.61
            [energy] => 
            [bulk_mod] => 428
            [shear_mod] => 465
            [vicker_hard] => 77
            [ref_file] => /References/2019_SciRep_9_6007
            [publ_year] => 2019
            [ref] => 
        )

)

SACADA Database Code: 523

Topology: 4²T285

# of independent nodes (IN): 2
Transitivity: [2553]
Space Group: Pbcn
Pearson: oP16
Coordination Number (CN): 4

Year: 2019

Download CIF File

Download PDF report

Data

Name	Pressure, GPa	Density, g/cm³	Gap, eV	Relative energy, eV/atom	Bulk, GPa	Shear, GPa	Vickers, GPa	Refs
4²T285 (SACADA #523)		3.475		0.470	408.3	450.5	84.1	SACADA¹
4,4T285		3.449	2.61		428	465	77	doi: 10.1038/s41598-019-42483-5

Elasticity tensor (kBar)¹

9284.6830	855.6347	1152.7210	-0.0000	0.0000	0.0000
855.6347	9790.8801	1215.1709	-0.0000	-0.0000	0.0000
1152.7210	1215.1709	11404.0850	-0.0000	-0.0000	0.0000
0.0000	0.0000	-0.0000	3302.5396	-0.0000	0.0000
0.0000	0.0000	-0.0000	-0.0000	5121.6141	-0.0000
-0.0000	0.0000	-0.0000	0.0000	-0.0000	5371.7534

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.

Click here for more details

© 2016 – 2025 SCTMS

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