SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 990
            [topology] => 3,4<sup>3</sup>T55
            [link_rcsr] => 
            [in_col] => 4
            [transitivity] => [4973]
            [space_group] => Immm
            [pearson] => oI40
            [cn] => 3, 4 (1:4)
            [Year] => 2001
            [cn_sort] => 003-004-001-004-
            [topology_str] => 3,4<sup>3</sup>T55
            [sp_atoms] => 
            [caid] => 228
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 2.884
            [e_gap] => 
            [energy] => 1.155
            [bulk_mod] => 301.2
            [shear_mod] => 259.8
            [vicker_hard] => 40.8
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 991
            [topology] => 3,4<sup>3</sup>T55
            [link_rcsr] => 
            [in_col] => 4
            [transitivity] => [4973]
            [space_group] => Immm
            [pearson] => oI40
            [cn] => 3, 4 (1:4)
            [Year] => 2001
            [cn_sort] => 003-004-001-004-
            [topology_str] => 3,4<sup>3</sup>T55
            [sp_atoms] => 
            [caid] => 228
            [nn] => 1
            [name] => bco-C20
            [pressure] => 
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2001_PhysRevB64_245405
            [publ_year] => 2001
            [ref] => 
        )

    [2] => Array
        (
            [id] => 992
            [topology] => 3,4<sup>3</sup>T55
            [link_rcsr] => 
            [in_col] => 4
            [transitivity] => [4973]
            [space_group] => Immm
            [pearson] => oI40
            [cn] => 3, 4 (1:4)
            [Year] => 2001
            [cn_sort] => 003-004-001-004-
            [topology_str] => 3,4<sup>3</sup>T55
            [sp_atoms] => 
            [caid] => 228
            [nn] => 2
            [name] => bco-C20
            [pressure] => 
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2003_EurPhysJ_31_509
            [publ_year] => 2003
            [ref] => 
        )

)

SACADA Database Code: 228

Topology: 3,4³T55

# of independent nodes (IN): 4
Transitivity: [4973]
Space Group: Immm
Pearson: oI40
Coordination Number (CN): 3, 4 (1:4)

Year: 2001

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Data

Name	Pressure, GPa	Density, g/cm³	Gap, eV	Relative energy, eV/atom	Bulk, GPa	Shear, GPa	Vickers, GPa	Refs
3,4³T55 (SACADA #228)		2.884		1.155	301.2	259.8	40.8	SACADA¹
bco-C20								doi: 10.1103/PhysRevB.64.245405
bco-C20								doi: 10.1140/epjb/e2003-00060-4

Elasticity tensor (kBar)¹

5937.6346	1018.2669	1220.5108	-0.0000	0.0000	-0.0000
1018.2669	7325.7685	1043.1442	-0.0000	-0.0000	0.0000
1220.5108	1043.1442	7397.3563	0.0000	-0.0000	0.0000
-0.0000	0.0000	0.0000	2023.2963	0.0000	-0.0000
0.0000	-0.0000	-0.0000	0.0000	3251.5306	-0.0000
-0.0000	0.0000	0.0000	-0.0000	-0.0000	2171.5529

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