SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 1121
            [topology] => 4<sup>7</sup>T14
            [link_rcsr] => 
            [in_col] => 7
            [transitivity] => [7(10)97]
            [space_group] => Cmcm
            [pearson] => oS40
            [cn] => 4
            [Year] => 2016
            [cn_sort] => 004-
            [topology_str] => 4<sup>7</sup>T14
            [sp_atoms] => 
            [caid] => 272
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.470
            [e_gap] => 
            [energy] => 0.641
            [bulk_mod] => 430.8
            [shear_mod] => 490.5
            [vicker_hard] => 92.2
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1122
            [topology] => 4<sup>7</sup>T14
            [link_rcsr] => 
            [in_col] => 7
            [transitivity] => [7(10)97]
            [space_group] => Cmcm
            [pearson] => oS40
            [cn] => 4
            [Year] => 2016
            [cn_sort] => 004-
            [topology_str] => 4<sup>7</sup>T14
            [sp_atoms] => 
            [caid] => 272
            [nn] => 1
            [name] => 4(I)
            [pressure] => 
            [density] => 
            [e_gap] => 4.09(D)
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2016_PhysRevB_93_085201
            [publ_year] => 2016
            [ref] => 
        )

)

SACADA Database Code: 272

Topology: 4⁷T14

# of independent nodes (IN): 7
Transitivity: [7(10)97]
Space Group: Cmcm
Pearson: oS40
Coordination Number (CN): 4

Year: 2016

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Data

Name	Pressure, GPa	Density, g/cm³	Gap, eV	Relative energy, eV/atom	Bulk, GPa	Shear, GPa	Vickers, GPa	Refs
4⁷T14 (SACADA #272)		3.470		0.641	430.8	490.5	92.2	SACADA¹
4(I)			4.09(D)					doi: 10.1103/PhysRevB.93.085201

Elasticity tensor (kBar)¹

11489.8705	1270.6677	299.3506	0.0000	-0.0000	0.0000
1270.6677	10558.5549	1367.2529	0.0000	0.0000	0.0000
299.3506	1367.2529	10856.7713	-0.0000	0.0000	0.0000
0.0000	0.0000	-0.0000	5405.0266	-0.0000	0.0000
-0.0000	0.0000	0.0000	-0.0000	5017.9456	0.0000
0.0000	0.0000	0.0000	0.0000	0.0000	4232.6757

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