SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 1167
            [topology] => 3<sup>2</sup>,4<sup>6</sup>T12
            [link_rcsr] => 
            [in_col] => 8
            [transitivity] => [8986]
            [space_group] => Pmma
            [pearson] => oP16
            [cn] => 3, 4 (1:3)
            [Year] => 2013
            [cn_sort] => 003-004-001-003-
            [topology_str] => 3<sup>2</sup>,4<sup>6</sup>T12
            [sp_atoms] => 
            [caid] => 287
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.357
            [e_gap] => 
            [energy] => 0.701
            [bulk_mod] => 409.5
            [shear_mod] => 365.5
            [vicker_hard] => 59.9
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1168
            [topology] => 3<sup>2</sup>,4<sup>6</sup>T12
            [link_rcsr] => 
            [in_col] => 8
            [transitivity] => [8986]
            [space_group] => Pmma
            [pearson] => oP16
            [cn] => 3, 4 (1:3)
            [Year] => 2013
            [cn_sort] => 003-004-001-003-
            [topology_str] => 3<sup>2</sup>,4<sup>6</sup>T12
            [sp_atoms] => 
            [caid] => 287
            [nn] => 1
            [name] => 16E
            [pressure] => 20
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2013_PhysRev_B_88_014102
            [publ_year] => 2013
            [ref] => 
        )

)

SACADA Database Code: 287

Topology: 3²,4⁶T12

# of independent nodes (IN): 8
Transitivity: [8986]
Space Group: Pmma
Pearson: oP16
Coordination Number (CN): 3, 4 (1:3)

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
3²,4⁶T12 (SACADA #287)		3.357		0.701	409.5	365.5	59.9	SACADA¹
16E	20							doi: 10.1103/PhysRevB.88.014102

Elasticity tensor (kBar)¹

12068.1572	128.2157	1662.3060	0.0000	-0.0000	0.0000
128.2157	8029.1084	1532.3385	0.0000	0.0000	-0.0000
1662.3060	1532.3385	10834.3117	0.0000	0.0000	-0.0000
0.0000	0.0000	0.0000	3158.5179	0.0000	0.0000
-0.0000	0.0000	0.0000	0.0000	1861.6048	0.0000
0.0000	-0.0000	-0.0000	0.0000	0.0000	5528.0742

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