SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 692
            [topology] => 3,4<sup>2</sup>T137
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3322]
            [space_group] => Fm-3
            [pearson] => cF88
            [cn] => 3, 4 (6:5)
            [Year] => 2003
            [cn_sort] => 003-004-006-005-
            [topology_str] => 3,4<sup>2</sup>T137
            [sp_atoms] => 
            [caid] => 151
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 2.681
            [e_gap] => 
            [energy] => 1.168
            [bulk_mod] => 225.7
            [shear_mod] => 201.6
            [vicker_hard] => 33.1
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 693
            [topology] => 3,4<sup>2</sup>T137
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3322]
            [space_group] => Fm-3
            [pearson] => cF88
            [cn] => 3, 4 (6:5)
            [Year] => 2003
            [cn_sort] => 003-004-006-005-
            [topology_str] => 3,4<sup>2</sup>T137
            [sp_atoms] => 
            [caid] => 151
            [nn] => 1
            [name] => C22
            [pressure] => 
            [density] => 
            [e_gap] => 2.47
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2003_EurPhysJ_31_509
            [publ_year] => 2003
            [ref] => 
        )

    [2] => Array
        (
            [id] => 694
            [topology] => 3,4<sup>2</sup>T137
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3322]
            [space_group] => Fm-3
            [pearson] => cF88
            [cn] => 3, 4 (6:5)
            [Year] => 2003
            [cn_sort] => 003-004-006-005-
            [topology_str] => 3,4<sup>2</sup>T137
            [sp_atoms] => 
            [caid] => 151
            [nn] => 2
            [name] => fcc-C22
            [pressure] => 
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2004_EurPhysJB_37_143_148
            [publ_year] => 2004
            [ref] => 
        )

)

SACADA Database Code: 151

Topology: 3,4²T137

# of independent nodes (IN): 3
Transitivity: [3322]
Space Group: Fm-3
Pearson: cF88
Coordination Number (CN): 3, 4 (6:5)

Year: 2003

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Data

Name	Pressure, GPa	Density, g/cm³	Gap, eV	Relative energy, eV/atom	Bulk, GPa	Shear, GPa	Vickers, GPa	Refs
3,4²T137 (SACADA #151)		2.681		1.168	225.7	201.6	33.1	SACADA¹
C22			2.47					doi: 10.1140/epjb/e2003-00060-4
fcc-C22								doi: 10.1140/epjb/e2004-00040-2

Elasticity tensor (kBar)¹

4533.9828	1119.1909	1119.1909	0.0000	0.0000	-0.0000
1119.1909	4533.9828	1119.1909	0.0000	-0.0000	0.0000
1119.1909	1119.1909	4533.9828	-0.0000	-0.0000	-0.0000
0.0000	0.0000	-0.0000	2253.8650	-0.0000	0.0000
0.0000	-0.0000	0.0000	-0.0000	2253.8650	0.0000
-0.0000	0.0000	-0.0000	0.0000	0.0000	2253.8650

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