SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 342
            [topology] => unc
            [link_rcsr] => http://rcsr.net/nets/unc
            [in_col] => 1
            [transitivity] => [1232]
            [space_group] => P4122
            [pearson] => tP4
            [cn] => 4
            [Year] => 2004
            [cn_sort] => 004-
            [topology_str] => unc
            [sp_atoms] => 
            [caid] => 57
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.426
            [e_gap] => 
            [energy] => 1.087
            [bulk_mod] => 392.5
            [shear_mod] => 372.1
            [vicker_hard] => 64.5
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 343
            [topology] => unc
            [link_rcsr] => http://rcsr.net/nets/unc
            [in_col] => 1
            [transitivity] => [1232]
            [space_group] => P4122
            [pearson] => tP4
            [cn] => 4
            [Year] => 2004
            [cn_sort] => 004-
            [topology_str] => unc
            [sp_atoms] => 
            [caid] => 57
            [nn] => 1
            [name] => G
            [pressure] => 
            [density] => 3.387
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2004_PhysRev_B_70_045101
            [publ_year] => 2004
            [ref] => 
        )

    [2] => Array
        (
            [id] => 344
            [topology] => unc
            [link_rcsr] => http://rcsr.net/nets/unc
            [in_col] => 1
            [transitivity] => [1232]
            [space_group] => P4122
            [pearson] => tP4
            [cn] => 4
            [Year] => 2004
            [cn_sort] => 004-
            [topology_str] => unc
            [sp_atoms] => 
            [caid] => 57
            [nn] => 2
            [name] => unc
            [pressure] => 
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2013_ZKristallogr_228_343_346
            [publ_year] => 2013
            [ref] => 
        )

)

SACADA Database Code: 57

Topology: unc

# of independent nodes (IN): 1
Transitivity: [1232]
Space Group: P4122
Pearson: tP4
Coordination Number (CN): 4

Year: 2004

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Data

Name	Pressure, GPa	Density, g/cm³	Gap, eV	Relative energy, eV/atom	Bulk, GPa	Shear, GPa	Vickers, GPa	Refs
unc (SACADA #57)		3.426		1.087	392.5	372.1	64.5	SACADA¹
G		3.387						doi: 10.1103/PhysRevB.70.045101
unc								doi: 10.1524/zkri.2013.1620

Elasticity tensor (kBar)¹

7017.6705	2456.5298	798.6775	0.0000	-0.0000	-0.0000
2456.5298	7017.6705	798.6775	-0.0000	0.0000	-0.0000
798.6775	798.6775	14007.3675	0.0000	-0.0000	-0.0000
0.0000	-0.0000	0.0000	2673.1798	-0.0000	0.0000
-0.0000	0.0000	-0.0000	0.0000	4557.3953	0.0000
-0.0000	-0.0000	-0.0000	0.0000	0.0000	4557.3953

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