SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 839
            [topology] => 3,4<sup>2</sup>T135
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3883]
            [space_group] => Pmma
            [pearson] => oP20
            [cn] => 3, 4 (2:3)
            [Year] => 2013
            [cn_sort] => 003-004-002-003-
            [topology_str] => 3,4<sup>2</sup>T135
            [sp_atoms] => 
            [caid] => 191
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 2.637
            [e_gap] => 
            [energy] => 0.977
            [bulk_mod] => 285.7
            [shear_mod] => 206.9
            [vicker_hard] => 25.1
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 840
            [topology] => 3,4<sup>2</sup>T135
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3883]
            [space_group] => Pmma
            [pearson] => oP20
            [cn] => 3, 4 (2:3)
            [Year] => 2013
            [cn_sort] => 003-004-002-003-
            [topology_str] => 3,4<sup>2</sup>T135
            [sp_atoms] => 
            [caid] => 191
            [nn] => 1
            [name] => 3D (5,0)-II
            [pressure] => 35
            [density] => 
            [e_gap] => 0.82
            [energy] => 
            [bulk_mod] => 284.21
            [shear_mod] => 220.27
            [vicker_hard] => 84.5
            [ref_file] => /References/2013_ScientificReports_3_1331
            [publ_year] => 2013
            [ref] => 
        )

)

SACADA Database Code: 191

Topology: 3,4²T135

# of independent nodes (IN): 3
Transitivity: [3883]
Space Group: Pmma
Pearson: oP20
Coordination Number (CN): 3, 4 (2:3)

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
3,4²T135 (SACADA #191)		2.637		0.977	285.7	206.9	25.1	SACADA¹
3D (5,0)-II	35		0.82		284.21	220.27	84.5	doi: 10.1038/srep01331

Elasticity tensor (kBar)¹

9204.9755	985.8228	651.6349	-0.0000	0.0000	-0.0000
985.8228	4634.0184	2747.6048	0.0000	0.0000	-0.0000
651.6349	2747.6048	3780.9398	0.0000	0.0000	0.0000
0.0000	-0.0000	0.0000	3188.1229	-0.0000	0.0000
0.0000	0.0000	-0.0000	0.0000	1967.9164	-0.0000
0.0000	-0.0000	0.0000	-0.0000	-0.0000	2506.1529

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