SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 1180
            [topology] => 4<sup>8</sup>T14
            [link_rcsr] => 
            [in_col] => 8
            [transitivity] => [8(14)(12)7]
            [space_group] => C2/m
            [pearson] => mS32
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => 4<sup>8</sup>T14
            [sp_atoms] => 
            [caid] => 292
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.461
            [e_gap] => 
            [energy] => 0.653
            [bulk_mod] => 434.6
            [shear_mod] => 494.2
            [vicker_hard] => 92.9
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1181
            [topology] => 4<sup>8</sup>T14
            [link_rcsr] => 
            [in_col] => 8
            [transitivity] => [8(14)(12)7]
            [space_group] => C2/m
            [pearson] => mS32
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => 4<sup>8</sup>T14
            [sp_atoms] => 
            [caid] => 292
            [nn] => 1
            [name] => 16A
            [pressure] => 20
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2013_PhysRev_B_88_014102
            [publ_year] => 2013
            [ref] => 
        )

)

SACADA Database Code: 292

Topology: 4⁸T14

# of independent nodes (IN): 8
Transitivity: [8(14)(12)7]
Space Group: C2/m
Pearson: mS32
Coordination Number (CN): 4

Year: 2013

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Data

Name	Pressure, GPa	Density, g/cm³	Gap, eV	Relative energy, eV/atom	Bulk, GPa	Shear, GPa	Vickers, GPa	Refs
4⁸T14 (SACADA #292)		3.461		0.653	434.6	494.2	92.9	SACADA¹
16A	20							doi: 10.1103/PhysRevB.88.014102

Elasticity tensor (kBar)¹

10595.3651	502.3917	1653.8895	0.0000	0.0000	867.1698
502.3917	11680.1911	865.0513	0.0000	-0.0000	-394.2846
1653.8895	865.0513	10805.5719	-0.0000	0.0000	-155.3538
0.0000	0.0000	-0.0000	4387.3589	-369.4464	0.0000
0.0000	-0.0000	0.0000	-369.4464	5270.2864	0.0000
867.1698	-394.2846	-155.3538	0.0000	0.0000	5131.5636

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