SACADA 3D

xxx

Array
(
    [0] => Array
        (
            [id] => 1064
            [topology] => 3<sup>5</sup>,4T6
            [link_rcsr] => 
            [in_col] => 6
            [transitivity] => [6752]
            [space_group] => Cmmm
            [pearson] => oS32
            [cn] => 3, 4 (7:1)
            [Year] => 2000
            [cn_sort] => 003-004-007-001-
            [topology_str] => 3<sup>5</sup>,4T6
            [sp_atoms] => 
            [caid] => 251
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 1.318
            [e_gap] => 
            [energy] => 0.738
            [bulk_mod] => 91.0
            [shear_mod] => 54.5
            [vicker_hard] => 6.3
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1065
            [topology] => 3<sup>5</sup>,4T6
            [link_rcsr] => 
            [in_col] => 6
            [transitivity] => [6752]
            [space_group] => Cmmm
            [pearson] => oS32
            [cn] => 3, 4 (7:1)
            [Year] => 2000
            [cn_sort] => 003-004-007-001-
            [topology_str] => 3<sup>5</sup>,4T6
            [sp_atoms] => 
            [caid] => 251
            [nn] => 1
            [name] => graphitic honeycomb
            [pressure] => 
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2000_PhysRevB_62_11
            [publ_year] => 2000
            [ref] => 
        )

    [2] => Array
        (
            [id] => 1066
            [topology] => 3<sup>5</sup>,4T6
            [link_rcsr] => 
            [in_col] => 6
            [transitivity] => [6752]
            [space_group] => Cmmm
            [pearson] => oS32
            [cn] => 3, 4 (7:1)
            [Year] => 2000
            [cn_sort] => 003-004-007-001-
            [topology_str] => 3<sup>5</sup>,4T6
            [sp_atoms] => 
            [caid] => 251
            [nn] => 2
            [name] => Zigzag carbon(3,3)
            [pressure] => 
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 97.0
            [shear_mod] => 8.7
            [vicker_hard] => 
            [ref_file] => /References/2006_PhysRev_B_74_214104
            [publ_year] => 2006
            [ref] => 
        )

)

SACADA Database Code: 251

Topology: 3⁵,4T6

# of independent nodes (IN): 6
Transitivity: [6752]
Space Group: Cmmm
Pearson: oS32
Coordination Number (CN): 3, 4 (7:1)

Year: 2000

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
3⁵,4T6 (SACADA #251)		1.318		0.738	91.0	54.5	6.3	SACADA¹
graphitic honeycomb								doi: 10.1103/PhysRevB.62.7614
Zigzag carbon(3,3)					97.0	8.7		doi: 10.1103/PhysRevB.74.214104

Elasticity tensor (kBar)¹

3066.4460	1307.4376	650.7722	-0.0000	0.0000	-0.0000
1307.4376	644.6003	335.9156	0.0000	-0.0000	0.0000
650.7722	335.9156	5885.4930	0.0000	-0.0000	-0.0000
-0.0000	0.0000	0.0000	41.1256	-0.0000	-0.0000
0.0000	-0.0000	-0.0000	-0.0000	788.8938	0.0000
-0.0000	0.0000	-0.0000	-0.0000	0.0000	1700.4234

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