SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 1455
            [topology] => 4<sup>2</sup>T264
            [link_rcsr] => 
            [in_col] => 2
            [transitivity] => [2442]
            [space_group] => Fddd
            [pearson] => oF40
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>2</sup>T264
            [sp_atoms] => 
            [caid] => 416
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.392
            [e_gap] => 
            [energy] => 1.053
            [bulk_mod] => 391.2
            [shear_mod] => 421.3
            [vicker_hard] => 78.1
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1456
            [topology] => 4<sup>2</sup>T264
            [link_rcsr] => 
            [in_col] => 2
            [transitivity] => [2442]
            [space_group] => Fddd
            [pearson] => oF40
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>2</sup>T264
            [sp_atoms] => 
            [caid] => 416
            [nn] => 1
            [name] => G116
            [pressure] => 
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2017_ChemPhysChem_18_873
            [publ_year] => 2017
            [ref] => 
        )

)

SACADA Database Code: 416

Topology: 4²T264

# of independent nodes (IN): 2
Transitivity: [2442]
Space Group: Fddd
Pearson: oF40
Coordination Number (CN): 4

Year: 2017

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Data

Name	Pressure, GPa	Density, g/cm³	Gap, eV	Relative energy, eV/atom	Bulk, GPa	Shear, GPa	Vickers, GPa	Refs
4²T264 (SACADA #416)		3.392		1.053	391.2	421.3	78.1	SACADA¹
G116								doi: 10.1002/cphc.201700151

Elasticity tensor (kBar)¹

8278.8220	942.8285	2096.0753	-0.0000	0.0000	-0.0000
942.8285	12497.8289	382.1436	0.0000	0.0000	-0.0000
2096.0753	382.1436	7893.4643	0.0000	-0.0000	-0.0000
-0.0000	0.0000	-0.0000	5265.3393	0.0000	0.0000
0.0000	0.0000	-0.0000	-0.0000	3858.4661	-0.0000
0.0000	0.0000	0.0000	0.0000	-0.0000	4058.5879

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