SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 1336
            [topology] => 4<sup>3</sup>T143
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3442]
            [space_group] => I-42d
            [pearson] => tI24
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>3</sup>T143
            [sp_atoms] => 
            [caid] => 357
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.227
            [e_gap] => 
            [energy] => 0.768
            [bulk_mod] => 380.6
            [shear_mod] => 401.0
            [vicker_hard] => 73.7
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1337
            [topology] => 4<sup>3</sup>T143
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3442]
            [space_group] => I-42d
            [pearson] => tI24
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>3</sup>T143
            [sp_atoms] => 
            [caid] => 357
            [nn] => 1
            [name] => G5
            [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: 357

Topology: 4³T143

# of independent nodes (IN): 3
Transitivity: [3442]
Space Group: I-42d
Pearson: tI24
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
4³T143 (SACADA #357)		3.227		0.768	380.6	401.0	73.7	SACADA¹
G5								doi: 10.1002/cphc.201700151

Elasticity tensor (kBar)¹

8317.1791	1537.8562	1123.4514	0.0000	-0.0000	0.0000
1537.8562	8317.1791	1123.4514	-0.0000	-0.0000	0.0000
1123.4514	1123.4514	10135.0187	-0.0000	0.0000	-0.0000
0.0000	-0.0000	0.0000	4810.1207	-0.0000	0.0000
-0.0000	-0.0000	0.0000	-0.0000	3862.1093	0.0000
0.0000	0.0000	-0.0000	0.0000	0.0000	3862.1093

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