SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 1431
            [topology] => 4<sup>8</sup>T30
            [link_rcsr] => 
            [in_col] => 8
            [transitivity] => [8(11)(10)7]
            [space_group] => Imm2
            [pearson] => oI28
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>8</sup>T30
            [sp_atoms] => 
            [caid] => 404
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.438
            [e_gap] => 
            [energy] => 0.736
            [bulk_mod] => 405.5
            [shear_mod] => 457.8
            [vicker_hard] => 85.9
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1432
            [topology] => 4<sup>8</sup>T30
            [link_rcsr] => 
            [in_col] => 8
            [transitivity] => [8(11)(10)7]
            [space_group] => Imm2
            [pearson] => oI28
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>8</sup>T30
            [sp_atoms] => 
            [caid] => 404
            [nn] => 1
            [name] => G95
            [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: 404

Topology: 4⁸T30

# of independent nodes (IN): 8
Transitivity: [8(11)(10)7]
Space Group: Imm2
Pearson: oI28
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
4⁸T30 (SACADA #404)		3.438		0.736	405.5	457.8	85.9	SACADA¹
G95								doi: 10.1002/cphc.201700151

Elasticity tensor (kBar)¹

10897.1917	387.1550	944.5357	3.0502	0.0634	0.5002
387.1550	10450.1911	753.2752	2.9328	1.9770	0.3836
944.5357	753.2752	11008.2035	7.5527	-0.8417	0.6124
3.0502	2.9328	7.5527	3891.1393	0.7892	-0.8535
0.0634	1.9770	-0.8417	0.7892	3950.1077	0.9501
0.5002	0.3836	0.6124	-0.8535	0.9501	5150.8819

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