SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 480
            [topology] => ato
            [link_rcsr] => http://rcsr.net/nets/ato
            [in_col] => 1
            [transitivity] => [1463]
            [space_group] => R-3m
            [pearson] => hR36
            [cn] => 4
            [Year] => 1993
            [cn_sort] => 004-
            [topology_str] => ato
            [sp_atoms] => 
            [caid] => 88
            [nn] => 0
            [name] => 36-hexa(3,3)
            [pressure] => 
            [density] => 3.045
            [e_gap] => 
            [energy] => 0.542
            [bulk_mod] => 355.0
            [shear_mod] => 331.5
            [vicker_hard] => 56.7
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 481
            [topology] => ato
            [link_rcsr] => http://rcsr.net/nets/ato
            [in_col] => 1
            [transitivity] => [1463]
            [space_group] => R-3m
            [pearson] => hR36
            [cn] => 4
            [Year] => 1993
            [cn_sort] => 004-
            [topology_str] => ato
            [sp_atoms] => 
            [caid] => 88
            [nn] => 1
            [name] => tubulane
            [pressure] => 
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/1993_ChemPhysLett(211)110_tubulanes
            [publ_year] => 1993
            [ref] => 
        )

    [2] => Array
        (
            [id] => 482
            [topology] => ato
            [link_rcsr] => http://rcsr.net/nets/ato
            [in_col] => 1
            [transitivity] => [1463]
            [space_group] => R-3m
            [pearson] => hR36
            [cn] => 4
            [Year] => 1993
            [cn_sort] => 004-
            [topology_str] => ato
            [sp_atoms] => 
            [caid] => 88
            [nn] => 2
            [name] => 3D (3,3)-III
            [pressure] => 
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 356.04
            [shear_mod] => 345.09
            [vicker_hard] => 85.3
            [ref_file] => /References/2013_ScientificReports_3_1331
            [publ_year] => 2013
            [ref] => 
        )

    [3] => Array
        (
            [id] => 483
            [topology] => ato
            [link_rcsr] => http://rcsr.net/nets/ato
            [in_col] => 1
            [transitivity] => [1463]
            [space_group] => R-3m
            [pearson] => hR36
            [cn] => 4
            [Year] => 1993
            [cn_sort] => 004-
            [topology_str] => ato
            [sp_atoms] => 
            [caid] => 88
            [nn] => 3
            [name] => γ-C
            [pressure] => 
            [density] => 1.56
            [e_gap] => 2.43
            [energy] => 
            [bulk_mod] => 341
            [shear_mod] => 
            [vicker_hard] => 72.4
            [ref_file] => /References/2015_PhysLettA_379_2116
            [publ_year] => 2015
            [ref] => 
        )

)

SACADA Database Code: 88

Topology: ato

# of independent nodes (IN): 1
Transitivity: [1463]
Space Group: R-3m
Pearson: hR36
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
36-hexa(3,3)ato (SACADA #88)		3.045		0.542	355.0	331.5	56.7	SACADA¹
tubulane								doi: 10.1016/0009-2614(93)80059-X
3D (3,3)-III					356.04	345.09	85.3	doi: 10.1038/srep01331
γ-C		1.56	2.43		341		72.4	doi: 10.1016/j.physleta.2015.06.037

Elasticity tensor (kBar)¹

7548.5273	2209.6665	376.4896	0.0000	162.4227	0.0000
2209.6665	7548.5273	376.4896	0.0000	-162.4227	-0.0000
376.4896	376.4896	11008.9340	0.0000	-0.0000	-0.0000
0.0000	0.0000	0.0000	2669.4304	-0.0000	162.4227
162.4227	-162.4227	-0.0000	-0.0000	3331.1356	0.0000
0.0000	-0.0000	-0.0000	162.4227	0.0000	3331.1355

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