SACADA 3D

xxx

Array
(
    [0] => Array
        (
            [id] => 629
            [topology] => 3,4T226
            [link_rcsr] => 
            [in_col] => 2
            [transitivity] => [2552]
            [space_group] => Cmcm
            [pearson] => oS24
            [cn] => 3, 4 (1:2)
            [Year] => 2005
            [cn_sort] => 003-004-001-002-
            [topology_str] => 3,4T226
            [sp_atoms] => 
            [caid] => 136
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.213
            [e_gap] => 
            [energy] => 0.309
            [bulk_mod] => 369.7
            [shear_mod] => 376.8
            [vicker_hard] => 68.3
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 630
            [topology] => 3,4T226
            [link_rcsr] => 
            [in_col] => 2
            [transitivity] => [2552]
            [space_group] => Cmcm
            [pearson] => oS24
            [cn] => 3, 4 (1:2)
            [Year] => 2005
            [cn_sort] => 003-004-001-002-
            [topology_str] => 3,4T226
            [sp_atoms] => 
            [caid] => 136
            [nn] => 1
            [name] => (4,0)ab
            [pressure] => 40
            [density] => 
            [e_gap] => 2.3
            [energy] => 
            [bulk_mod] => 361
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2005_PhysRev_B_72_214109
            [publ_year] => 2005
            [ref] => 
        )

    [2] => Array
        (
            [id] => 631
            [topology] => 3,4T226
            [link_rcsr] => 
            [in_col] => 2
            [transitivity] => [2552]
            [space_group] => Cmcm
            [pearson] => oS24
            [cn] => 3, 4 (1:2)
            [Year] => 2005
            [cn_sort] => 003-004-001-002-
            [topology_str] => 3,4T226
            [sp_atoms] => 
            [caid] => 136
            [nn] => 2
            [name] => (4,0)ab
            [pressure] => 
            [density] => 
            [e_gap] => 2.12
            [energy] => 
            [bulk_mod] => 376.0
            [shear_mod] => 390.4
            [vicker_hard] => 65.6
            [ref_file] => /References/2016_AIPAdvance_055020
            [publ_year] => 2016
            [ref] => 
        )

)

SACADA Database Code: 136

Topology: 3,4T226

# of independent nodes (IN): 2
Transitivity: [2552]
Space Group: Cmcm
Pearson: oS24
Coordination Number (CN): 3, 4 (1:2)

Year: 2005

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
3,4T226 (SACADA #136)		3.213		0.309	369.7	376.8	68.3	SACADA¹
(4,0)ab	40		2.3		361			doi: 10.1103/PhysRevB.72.214109
(4,0)ab			2.12		376.0	390.4	65.6	doi: 10.1063/1.4952426

Elasticity tensor (kBar)¹

12408.9053	590.1588	324.1402	-0.0000	0.0000	0.0000
590.1588	9886.9631	2102.8148	-0.0000	0.0000	0.0000
324.1402	2102.8148	6024.5254	0.0000	-0.0000	0.0000
-0.0000	0.0000	0.0000	4813.4923	0.0000	-0.0000
0.0000	0.0000	-0.0000	0.0000	3301.9004	-0.0000
-0.0000	0.0000	0.0000	-0.0000	0.0000	3097.1946

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