SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 1435
            [topology] => 4<sup>2</sup>T262
            [link_rcsr] => 
            [in_col] => 2
            [transitivity] => [2663]
            [space_group] => Cmcm
            [pearson] => oS24
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>2</sup>T262
            [sp_atoms] => 
            [caid] => 406
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.230
            [e_gap] => 
            [energy] => 0.902
            [bulk_mod] => 369.0
            [shear_mod] => 387.6
            [vicker_hard] => 71.2
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1436
            [topology] => 4<sup>2</sup>T262
            [link_rcsr] => 
            [in_col] => 2
            [transitivity] => [2663]
            [space_group] => Cmcm
            [pearson] => oS24
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>2</sup>T262
            [sp_atoms] => 
            [caid] => 406
            [nn] => 1
            [name] => G99
            [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: 406

Topology: 4²T262

# of independent nodes (IN): 2
Transitivity: [2663]
Space Group: Cmcm
Pearson: oS24
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
4²T262 (SACADA #406)		3.230		0.902	369.0	387.6	71.2	SACADA¹
G99								doi: 10.1002/cphc.201700151

Elasticity tensor (kBar)¹

10643.0598	771.7171	780.9112	0.0000	-0.0000	-0.0000
771.7171	9478.8876	56.6923	-0.0000	-0.0000	0.0000
780.9112	56.6923	9973.4172	-0.0000	0.0000	0.0000
0.0000	-0.0000	-0.0000	3218.5577	0.0000	0.0000
-0.0000	-0.0000	0.0000	0.0000	3681.4150	-0.0000
0.0000	0.0000	0.0000	0.0000	-0.0000	3282.0517

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