SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 1010
            [topology] => 4<sup>4</sup>T37
            [link_rcsr] => 
            [in_col] => 4
            [transitivity] => [4(12)(12)6]
            [space_group] => C2/m
            [pearson] => mS32
            [cn] => 4
            [Year] => 2011
            [cn_sort] => 004-
            [topology_str] => 4<sup>4</sup>T37
            [sp_atoms] => 
            [caid] => 234
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.337
            [e_gap] => 
            [energy] => 0.806
            [bulk_mod] => 406.0
            [shear_mod] => 428.8
            [vicker_hard] => 78.9
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1011
            [topology] => 4<sup>4</sup>T37
            [link_rcsr] => 
            [in_col] => 4
            [transitivity] => [4(12)(12)6]
            [space_group] => C2/m
            [pearson] => mS32
            [cn] => 4
            [Year] => 2011
            [cn_sort] => 004-
            [topology_str] => 4<sup>4</sup>T37
            [sp_atoms] => 
            [caid] => 234
            [nn] => 1
            [name] => mC32
            [pressure] => 
            [density] => 
            [e_gap] => 3.47
            [energy] => 
            [bulk_mod] => 384.5
            [shear_mod] => 
            [vicker_hard] => 70.2
            [ref_file] => /References/2011_PhysRev_B_84_161411
            [publ_year] => 2011
            [ref] => 
        )

    [2] => Array
        (
            [id] => 1012
            [topology] => 4<sup>4</sup>T37
            [link_rcsr] => 
            [in_col] => 4
            [transitivity] => [4(12)(12)6]
            [space_group] => C2/m
            [pearson] => mS32
            [cn] => 4
            [Year] => 2011
            [cn_sort] => 004-
            [topology_str] => 4<sup>4</sup>T37
            [sp_atoms] => 
            [caid] => 234
            [nn] => 2
            [name] => mC32
            [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: 234

Topology: 4⁴T37

# of independent nodes (IN): 4
Transitivity: [4(12)(12)6]
Space Group: C2/m
Pearson: mS32
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
4⁴T37 (SACADA #234)		3.337		0.806	406.0	428.8	78.9	SACADA¹
mC32			3.47		384.5		70.2	doi: 10.1103/PhysRevB.84.161411
mC32								doi: 10.1038/srep00471

Elasticity tensor (kBar)¹

10186.7628	402.5037	1701.3270	-0.0000	0.0000	226.1383
402.5037	10867.8740	768.5112	-0.0000	-0.0000	-205.3113
1701.3270	768.5112	9742.5310	0.0000	-0.0000	489.1045
-0.0000	0.0000	0.0000	3897.8331	473.5025	-0.0000
0.0000	-0.0000	-0.0000	473.5025	3696.5061	0.0000
226.1383	-205.3113	489.1045	-0.0000	0.0000	4703.4266

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