SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 834
            [topology] => 4<sup>3</sup>T129
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3797]
            [space_group] => Immm
            [pearson] => oI24
            [cn] => 4
            [Year] => 2012
            [cn_sort] => 004-
            [topology_str] => 4<sup>3</sup>T129
            [sp_atoms] => 
            [caid] => 189
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.482
            [e_gap] => 
            [energy] => 0.664
            [bulk_mod] => 436.9
            [shear_mod] => 492.5
            [vicker_hard] => 92.4
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 835
            [topology] => 4<sup>3</sup>T129
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3797]
            [space_group] => Immm
            [pearson] => oI24
            [cn] => 4
            [Year] => 2012
            [cn_sort] => 004-
            [topology_str] => 4<sup>3</sup>T129
            [sp_atoms] => 
            [caid] => 189
            [nn] => 1
            [name] => B-B1AL2R2
            [pressure] => 20
            [density] => 3.54
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 456.3
            [shear_mod] => 504.4
            [vicker_hard] => 82.7
            [ref_file] => /References/2012_PhysRevLet_108_135501
            [publ_year] => 2012
            [ref] => 
        )

    [2] => Array
        (
            [id] => 836
            [topology] => 4<sup>3</sup>T129
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3797]
            [space_group] => Immm
            [pearson] => oI24
            [cn] => 4
            [Year] => 2012
            [cn_sort] => 004-
            [topology_str] => 4<sup>3</sup>T129
            [sp_atoms] => 
            [caid] => 189
            [nn] => 2
            [name] => 12A
            [pressure] => 
            [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: 189

Topology: 4³T129

# of independent nodes (IN): 3
Transitivity: [3797]
Space Group: Immm
Pearson: oI24
Coordination Number (CN): 4

Year: 2012

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Data

Name	Pressure, GPa	Density, g/cm³	Gap, eV	Relative energy, eV/atom	Bulk, GPa	Shear, GPa	Vickers, GPa	Refs
4³T129 (SACADA #189)		3.482		0.664	436.9	492.5	92.4	SACADA¹
B-B1AL2R2	20	3.54			456.3	504.4	82.7	doi: 10.1103/PhysRevLett.108.135501
12A								doi: 10.1103/PhysRevB.88.014102

Elasticity tensor (kBar)¹

11374.4603	1001.0987	617.1863	0.0000	-0.0000	-0.0000
1001.0987	12174.8180	282.8895	-0.0000	0.0000	0.0000
617.1863	282.8895	11980.2246	0.0000	-0.0000	-0.0000
0.0000	-0.0000	0.0000	5246.2250	-0.0000	0.0000
-0.0000	0.0000	-0.0000	-0.0000	4589.4292	0.0000
0.0000	0.0000	-0.0000	0.0000	0.0000	3846.7859

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