SACADA 3D

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Array
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    [0] => Array
        (
            [id] => 944
            [topology] => 4<sup>4</sup>T32
            [link_rcsr] => 
            [in_col] => 4
            [transitivity] => [4764]
            [space_group] => Imma
            [pearson] => oI24
            [cn] => 4
            [Year] => 2012
            [cn_sort] => 004-
            [topology_str] => 4<sup>4</sup>T32
            [sp_atoms] => 
            [caid] => 222
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.418
            [e_gap] => 
            [energy] => 0.705
            [bulk_mod] => 419.2
            [shear_mod] => 472.8
            [vicker_hard] => 88.7
            [ref_file] => 
            [publ_year] => 
            [ref] => 
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            [topology] => 4<sup>4</sup>T32
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            [cn_sort] => 004-
            [topology_str] => 4<sup>4</sup>T32
            [sp_atoms] => 
            [caid] => 222
            [nn] => 1
            [name] => Z-CACB
            [pressure] => 
            [density] => 3.365
            [e_gap] => 4.196
            [energy] => 
            [bulk_mod] => 405.41
            [shear_mod] => 
            [vicker_hard] => 82.01
            [ref_file] => /References/2012_PCCP_He_4superhard
            [publ_year] => 2012
            [ref] => 
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            [cn_sort] => 004-
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            [nn] => 2
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            [density] => 
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            [ref_file] => /References/2012_JSuperHardMat_34_386
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            [cn_sort] => 004-
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            [sp_atoms] => 
            [caid] => 222
            [nn] => 3
            [name] => 12E
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            [vicker_hard] => 
            [ref_file] => /References/2013_PhysRev_B_88_014102
            [publ_year] => 2013
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        )

    [4] => Array
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            [id] => 948
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            [pearson] => oI24
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            [bulk_mod] => 
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            [vicker_hard] => 
            [ref_file] => /References/2016_PhysRevB_93_085201
            [publ_year] => 2016
            [ref] => 
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SACADA Database Code: 222

Topology: 4⁴T32

# of independent nodes (IN): 4
Transitivity: [4764]
Space Group: Imma
Pearson: oI24
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
4⁴T32 (SACADA #222)		3.418		0.705	419.2	472.8	88.7	SACADA¹
Z-CACB		3.365	4.196		405.41		82.01	doi: 10.1039/c2cp40531h
Z-CACB								doi: 10.3103/s1063457612060123
12E								doi: 10.1103/PhysRevB.88.014102
Z-CACB								doi: 10.1103/PhysRevB.93.085201

Elasticity tensor (kBar)¹

11265.3945	260.3784	1276.2198	-0.0000	-0.0000	-0.0000
260.3784	10259.7755	1144.6610	0.0000	0.0000	0.0000
1276.2198	1144.6610	10918.6695	-0.0000	0.0000	0.0000
-0.0000	0.0000	-0.0000	3886.8100	0.0000	0.0000
-0.0000	0.0000	0.0000	0.0000	4670.5452	-0.0000
-0.0000	0.0000	0.0000	0.0000	-0.0000	5320.9218

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