SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 1117
            [topology] => 3<sup>2</sup>,4<sup>4</sup>T9
            [link_rcsr] => 
            [in_col] => 6
            [transitivity] => [6(17)(20)(10)]
            [space_group] => Pccm
            [pearson] => oP48
            [cn] => 3, 4 (1:2)
            [Year] => 2013
            [cn_sort] => 003-004-001-002-
            [topology_str] => 3<sup>2</sup>,4<sup>4</sup>T9
            [sp_atoms] => 
            [caid] => 270
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 2.827
            [e_gap] => 
            [energy] => 0.909
            [bulk_mod] => 292.2
            [shear_mod] => 261.6
            [vicker_hard] => 43.0
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1118
            [topology] => 3<sup>2</sup>,4<sup>4</sup>T9
            [link_rcsr] => 
            [in_col] => 6
            [transitivity] => [6(17)(20)(10)]
            [space_group] => Pccm
            [pearson] => oP48
            [cn] => 3, 4 (1:2)
            [Year] => 2013
            [cn_sort] => 003-004-001-002-
            [topology_str] => 3<sup>2</sup>,4<sup>4</sup>T9
            [sp_atoms] => 
            [caid] => 270
            [nn] => 1
            [name] => 3D (6,0)-IV
            [pressure] => 3
            [density] => 
            [e_gap] => 0.23
            [energy] => 
            [bulk_mod] => 212.63
            [shear_mod] => 257.22
            [vicker_hard] => 80.1
            [ref_file] => /References/2013_ScientificReports_3_1331
            [publ_year] => 2013
            [ref] => 
        )

)

SACADA Database Code: 270

Topology: 3²,4⁴T9

# of independent nodes (IN): 6
Transitivity: [6(17)(20)(10)]
Space Group: Pccm
Pearson: oP48
Coordination Number (CN): 3, 4 (1:2)

Year: 2013

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Data

Name	Pressure, GPa	Density, g/cm³	Gap, eV	Relative energy, eV/atom	Bulk, GPa	Shear, GPa	Vickers, GPa	Refs
3²,4⁴T9 (SACADA #270)		2.827		0.909	292.2	261.6	43.0	SACADA¹
3D (6,0)-IV	3		0.23		212.63	257.22	80.1	doi: 10.1038/srep01331

Elasticity tensor (kBar)¹

7366.9270	2514.8125	625.2809	0.0000	-0.0000	0.0000
2514.8125	3386.6090	349.1614	-0.0000	-0.0000	-0.0000
625.2809	349.1614	11048.1266	-0.0000	-0.0000	0.0000
0.0000	-0.0000	-0.0000	2276.4517	0.0000	0.0000
-0.0000	-0.0000	-0.0000	0.0000	2478.1199	-0.0000
0.0000	-0.0000	0.0000	0.0000	-0.0000	3870.1570

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