SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 790
            [topology] => 4<sup>3</sup>T84
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3553]
            [space_group] => C2221
            [pearson] => oS16
            [cn] => 4
            [Year] => 2011
            [cn_sort] => 004-
            [topology_str] => 4<sup>3</sup>T84
            [sp_atoms] => 
            [caid] => 175
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.528
            [e_gap] => 
            [energy] => 0.866
            [bulk_mod] => 439.9
            [shear_mod] => 502.5
            [vicker_hard] => 94.6
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 791
            [topology] => 4<sup>3</sup>T84
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3553]
            [space_group] => C2221
            [pearson] => oS16
            [cn] => 4
            [Year] => 2011
            [cn_sort] => 004-
            [topology_str] => 4<sup>3</sup>T84
            [sp_atoms] => 
            [caid] => 175
            [nn] => 1
            [name] => oC16-I
            [pressure] => 
            [density] => 
            [e_gap] => 4.5
            [energy] => 
            [bulk_mod] => 411.0
            [shear_mod] => 
            [vicker_hard] => 85.8
            [ref_file] => /References/2011_PhysRev_B_84_161411
            [publ_year] => 2011
            [ref] => 
        )

    [2] => Array
        (
            [id] => 792
            [topology] => 4<sup>3</sup>T84
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3553]
            [space_group] => C2221
            [pearson] => oS16
            [cn] => 4
            [Year] => 2011
            [cn_sort] => 004-
            [topology_str] => 4<sup>3</sup>T84
            [sp_atoms] => 
            [caid] => 175
            [nn] => 2
            [name] => oC16-I
            [pressure] => 
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2013_JSuperHardMat_35_1
            [publ_year] => 2013
            [ref] => 
        )

    [3] => Array
        (
            [id] => 793
            [topology] => 4<sup>3</sup>T84
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3553]
            [space_group] => C2221
            [pearson] => oS16
            [cn] => 4
            [Year] => 2011
            [cn_sort] => 004-
            [topology_str] => 4<sup>3</sup>T84
            [sp_atoms] => 
            [caid] => 175
            [nn] => 3
            [name] => oC16-I
            [pressure] => 
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/ZAAC2014_Leoni_Carbon
            [publ_year] => 
            [ref] => 
        )

)

SACADA Database Code: 175

Topology: 4³T84

# of independent nodes (IN): 3
Transitivity: [3553]
Space Group: C2221
Pearson: oS16
Coordination Number (CN): 4

Year: 2011

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Data

Name	Pressure, GPa	Density, g/cm³	Gap, eV	Relative energy, eV/atom	Bulk, GPa	Shear, GPa	Vickers, GPa	Refs
4³T84 (SACADA #175)		3.528		0.866	439.9	502.5	94.6	SACADA¹
oC16-I			4.5		411.0		85.8	doi: 10.1103/PhysRevB.84.161411
oC16-I								doi: 10.3103/s1063457613010012
oC16-I								doi: 10.1002/zaac.201300652

Elasticity tensor (kBar)¹

10079.1557	1939.4233	864.1294	-0.0000	-0.0000	-0.0000
1939.4233	9870.8607	718.1096	0.0000	0.0000	0.0000
864.1294	718.1096	12669.8342	-0.0000	-0.0000	-0.0000
-0.0000	0.0000	-0.0000	5232.3446	-0.0000	-0.0000
-0.0000	0.0000	-0.0000	-0.0000	4867.0586	0.0000
-0.0000	0.0000	-0.0000	-0.0000	0.0000	5529.1076

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