SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 673
            [topology] => 4<sup>2</sup>T110
            [link_rcsr] => 
            [in_col] => 2
            [transitivity] => [2773]
            [space_group] => Cmcm
            [pearson] => oS32
            [cn] => 4
            [Year] => 2012
            [cn_sort] => 004-
            [topology_str] => 4<sup>2</sup>T110
            [sp_atoms] => 
            [caid] => 144
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.450
            [e_gap] => 
            [energy] => 0.699
            [bulk_mod] => 430.0
            [shear_mod] => 478.8
            [vicker_hard] => 89.6
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
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            [id] => 674
            [topology] => 4<sup>2</sup>T110
            [link_rcsr] => 
            [in_col] => 2
            [transitivity] => [2773]
            [space_group] => Cmcm
            [pearson] => oS32
            [cn] => 4
            [Year] => 2012
            [cn_sort] => 004-
            [topology_str] => 4<sup>2</sup>T110
            [sp_atoms] => 
            [caid] => 144
            [nn] => 1
            [name] => A4-A2B2
            [pressure] => 
            [density] => 3.397
            [e_gap] => 3.271
            [energy] => 
            [bulk_mod] => 413.62
            [shear_mod] => 
            [vicker_hard] => 83.18
            [ref_file] => /References/2012_JSuperHardMat_34_386
            [publ_year] => 2012
            [ref] => 
        )

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            [id] => 675
            [topology] => 4<sup>2</sup>T110
            [link_rcsr] => 
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            [pearson] => oS32
            [cn] => 4
            [Year] => 2012
            [cn_sort] => 004-
            [topology_str] => 4<sup>2</sup>T110
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            [name] => A4-A2B2
            [pressure] => 
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2012_PCCP_He_4superhard
            [publ_year] => 2012
            [ref] => 
        )

    [3] => Array
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            [id] => 676
            [topology] => 4<sup>2</sup>T110
            [link_rcsr] => 
            [in_col] => 2
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            [space_group] => Cmcm
            [pearson] => oS32
            [cn] => 4
            [Year] => 2012
            [cn_sort] => 004-
            [topology_str] => 4<sup>2</sup>T110
            [sp_atoms] => 
            [caid] => 144
            [nn] => 3
            [name] => Cmca
            [pressure] => 
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2015PhysRevB91_214104
            [publ_year] => 2015
            [ref] => 
        )

)

SACADA Database Code: 144

Topology: 4²T110

# of independent nodes (IN): 2
Transitivity: [2773]
Space Group: Cmcm
Pearson: oS32
Coordination Number (CN): 4

Year: 2012

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Data

Name	Pressure, GPa	Density, g/cm³	Gap, eV	Relative energy, eV/atom	Bulk, GPa	Shear, GPa	Vickers, GPa	Refs
4²T110 (SACADA #144)		3.450		0.699	430.0	478.8	89.6	SACADA¹
A4-A2B2		3.397	3.271		413.62		83.18	doi: 10.3103/s1063457612060123
A4-A2B2								doi: 10.1039/c2cp40531h
Cmca								doi: 10.1103/PhysRevB.91.214104

Elasticity tensor (kBar)¹

11209.3783	718.5051	452.9481	0.0000	-0.0000	0.0000
718.5051	11164.6043	1127.3640	-0.0000	-0.0000	0.0000
452.9481	1127.3640	11743.3006	-0.0000	0.0000	-0.0000
0.0000	0.0000	-0.0000	3874.9735	-0.0000	0.0000
-0.0000	0.0000	0.0000	0.0000	5226.4728	0.0000
0.0000	-0.0000	0.0000	0.0000	0.0000	4432.0783

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