SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 885
            [topology] => ton
            [link_rcsr] => http://rcsr.net/nets/ton
            [in_col] => 4
            [transitivity] => [4653]
            [space_group] => Cmcm
            [pearson] => oS24
            [cn] => 4
            [Year] => 1993
            [cn_sort] => 004-
            [topology_str] => ton
            [sp_atoms] => 
            [caid] => 212
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.086
            [e_gap] => 
            [energy] => 0.879
            [bulk_mod] => 359.8
            [shear_mod] => 369.1
            [vicker_hard] => 67.1
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 886
            [topology] => ton
            [link_rcsr] => http://rcsr.net/nets/ton
            [in_col] => 4
            [transitivity] => [4653]
            [space_group] => Cmcm
            [pearson] => oS24
            [cn] => 4
            [Year] => 1993
            [cn_sort] => 004-
            [topology_str] => ton
            [sp_atoms] => 
            [caid] => 212
            [nn] => 1
            [name] => C-TON
            [pressure] => 
            [density] => 
            [e_gap] => 3.28
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/1993_Angew_Nesper_foam_C
            [publ_year] => 1993
            [ref] => 
        )

)

SACADA Database Code: 212

Topology: ton

# of independent nodes (IN): 4
Transitivity: [4653]
Space Group: Cmcm
Pearson: oS24
Coordination Number (CN): 4

Year: 1993

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Data

Name	Pressure, GPa	Density, g/cm³	Gap, eV	Relative energy, eV/atom	Bulk, GPa	Shear, GPa	Vickers, GPa	Refs
ton (SACADA #212)		3.086		0.879	359.8	369.1	67.1	SACADA¹
C-TON			3.28					doi: 10.1002/anie.199307011

Elasticity tensor (kBar)¹

7631.8406	2227.5880	478.2344	-0.0000	0.0000	0.0000
2227.5880	7711.3783	833.9195	0.0000	-0.0000	0.0000
478.2344	833.9195	9985.2566	0.0000	-0.0000	0.0000
0.0000	0.0000	0.0000	3598.5512	0.0000	0.0000
0.0000	-0.0000	-0.0000	0.0000	4318.3330	-0.0000
0.0000	0.0000	0.0000	0.0000	-0.0000	3581.6937

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