SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 1391
            [topology] => 4<sup>7</sup>T24
            [link_rcsr] => 
            [in_col] => 7
            [transitivity] => [7(15)(15)7]
            [space_group] => C2
            [pearson] => mS28
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>7</sup>T24
            [sp_atoms] => 
            [caid] => 384
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.504
            [e_gap] => 
            [energy] => 0.893
            [bulk_mod] => 402.5
            [shear_mod] => 467.5
            [vicker_hard] => 88.3
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1392
            [topology] => 4<sup>7</sup>T24
            [link_rcsr] => 
            [in_col] => 7
            [transitivity] => [7(15)(15)7]
            [space_group] => C2
            [pearson] => mS28
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>7</sup>T24
            [sp_atoms] => 
            [caid] => 384
            [nn] => 1
            [name] => G68
            [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: 384

Topology: 4⁷T24

# of independent nodes (IN): 7
Transitivity: [7(15)(15)7]
Space Group: C2
Pearson: mS28
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
4⁷T24 (SACADA #384)		3.504		0.893	402.5	467.5	88.3	SACADA¹
G68								doi: 10.1002/cphc.201700151

Elasticity tensor (kBar)¹

10109.8608	510.0581	1176.4006	0.0000	-0.0000	-451.8362
510.0581	11504.1299	684.2837	-0.0000	-0.0000	-89.9357
1176.4006	684.2837	9895.4221	0.0000	-0.0000	574.0298
0.0000	-0.0000	0.0000	4379.6696	-132.8734	0.0000
-0.0000	-0.0000	-0.0000	-132.8734	4881.5765	-0.0000
-451.8362	-89.9357	574.0298	0.0000	0.0000	4464.5848

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