SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 681
            [topology] => 4<sup>2</sup>T112
            [link_rcsr] => 
            [in_col] => 2
            [transitivity] => -
            [space_group] => A2/n
            [pearson] => mS12
            [cn] => 4
            [Year] => 2011
            [cn_sort] => 004-
            [topology_str] => 4<sup>2</sup>T112
            [sp_atoms] => 
            [caid] => 147
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.475
            [e_gap] => 
            [energy] => 0.900
            [bulk_mod] => 428.9
            [shear_mod] => 481.5
            [vicker_hard] => 90.3
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 682
            [topology] => 4<sup>2</sup>T112
            [link_rcsr] => 
            [in_col] => 2
            [transitivity] => -
            [space_group] => A2/n
            [pearson] => mS12
            [cn] => 4
            [Year] => 2011
            [cn_sort] => 004-
            [topology_str] => 4<sup>2</sup>T112
            [sp_atoms] => 
            [caid] => 147
            [nn] => 1
            [name] => mC12
            [pressure] => 
            [density] => 
            [e_gap] => 2.82
            [energy] => 
            [bulk_mod] => 399.5
            [shear_mod] => 
            [vicker_hard] => 84.4
            [ref_file] => /References/2011_PhysRev_B_84_161411
            [publ_year] => 2011
            [ref] => 
        )

    [2] => Array
        (
            [id] => 683
            [topology] => 4<sup>2</sup>T112
            [link_rcsr] => 
            [in_col] => 2
            [transitivity] => -
            [space_group] => A2/n
            [pearson] => mS12
            [cn] => 4
            [Year] => 2011
            [cn_sort] => 004-
            [topology_str] => 4<sup>2</sup>T112
            [sp_atoms] => 
            [caid] => 147
            [nn] => 2
            [name] => mC12
            [pressure] => 
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2012_SCIENTIFIC REPORTS_2
            [publ_year] => 2012
            [ref] => 
        )

)

SACADA Database Code: 147

Topology: 4²T112

# of independent nodes (IN): 2
Transitivity: -
Space Group: A2/n
Pearson: mS12
Coordination Number (CN): 4

Year: 2011

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Data

Name	Pressure, GPa	Density, g/cm³	Gap, eV	Relative energy, eV/atom	Bulk, GPa	Shear, GPa	Vickers, GPa	Refs
4²T112 (SACADA #147)		3.475		0.900	428.9	481.5	90.3	SACADA¹
mC12			2.82		399.5		84.4	doi: 10.1103/PhysRevB.84.161411
mC12								doi: 10.1038/srep00471

Elasticity tensor (kBar)¹

10190.3106	1919.1333	1082.7688	0.0000	-0.0000	-571.8328
1919.1333	8898.9747	561.4576	-0.0000	0.0000	-85.9771
1082.7688	561.4576	12608.1996	-0.0000	0.0000	-68.2119
0.0000	-0.0000	-0.0000	4822.0972	-308.3955	-0.0000
-0.0000	-0.0000	0.0000	-308.3955	4490.0949	0.0000
-571.8328	-85.9771	-68.2119	-0.0000	0.0000	5669.7140

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