SACADA 3D

xxx

Array
(
    [0] => Array
        (
            [id] => 949
            [topology] => 3<sup>3</sup>,4T80
            [link_rcsr] => 
            [in_col] => 4
            [transitivity] => [4863]
            [space_group] => Immm
            [pearson] => oI28
            [cn] => 3, 4 (5:2)
            [Year] => 2011
            [cn_sort] => 003-004-005-002-
            [topology_str] => 3<sup>3</sup>,4T80
            [sp_atoms] => 
            [caid] => 223
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 2.868
            [e_gap] => 
            [energy] => 0.788
            [bulk_mod] => 171.4
            [shear_mod] => 141.1
            [vicker_hard] => 20.8
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 950
            [topology] => 3<sup>3</sup>,4T80
            [link_rcsr] => 
            [in_col] => 4
            [transitivity] => [4863]
            [space_group] => Immm
            [pearson] => oI28
            [cn] => 3, 4 (5:2)
            [Year] => 2011
            [cn_sort] => 003-004-005-002-
            [topology_str] => 3<sup>3</sup>,4T80
            [sp_atoms] => 
            [caid] => 223
            [nn] => 1
            [name] => 3D-(8,0)
            [pressure] => 
            [density] => 2.944
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 280.6
            [shear_mod] => 198.3
            [vicker_hard] => 54.5
            [ref_file] => /References/2011_ACSNano_7226
            [publ_year] => 2011
            [ref] => 
        )

)

SACADA Database Code: 223

Topology: 3³,4T80

# of independent nodes (IN): 4
Transitivity: [4863]
Space Group: Immm
Pearson: oI28
Coordination Number (CN): 3, 4 (5:2)

Year: 2011

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
3³,4T80 (SACADA #223)		2.868		0.788	171.4	141.1	20.8	SACADA¹
3D-(8,0)		2.944			280.6	198.3	54.5	doi: 10.1021/nn202053t

Elasticity tensor (kBar)¹

11450.6411	515.1814	1777.3853	0.0000	0.0000	0.0000
515.1814	2966.8560	-209.0174	0.0000	-0.0000	0.0000
1777.3853	-209.0174	12267.9993	0.0000	-0.0000	0.0000
0.0000	0.0000	0.0000	128.8264	-0.0000	0.0000
0.0000	-0.0000	-0.0000	-0.0000	810.4007	-0.0000
0.0000	0.0000	0.0000	0.0000	-0.0000	4973.1070

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