SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 1285
            [topology] => 4<sup>16</sup>T2
            [link_rcsr] => 
            [in_col] => 16
            [transitivity] => [(16)(24)(22)(14)]
            [space_group] => Cm
            [pearson] => mS32
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => 4<sup>16</sup>T2
            [sp_atoms] => 
            [caid] => 337
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.463
            [e_gap] => 
            [energy] => 0.664
            [bulk_mod] => 413.4
            [shear_mod] => 475.8
            [vicker_hard] => 89.7
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1286
            [topology] => 4<sup>16</sup>T2
            [link_rcsr] => 
            [in_col] => 16
            [transitivity] => [(16)(24)(22)(14)]
            [space_group] => Cm
            [pearson] => mS32
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => 4<sup>16</sup>T2
            [sp_atoms] => 
            [caid] => 337
            [nn] => 1
            [name] => 16B
            [pressure] => 20
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2013_PhysRev_B_88_014102
            [publ_year] => 2013
            [ref] => 
        )

)

SACADA Database Code: 337

Topology: 4¹⁶T2

# of independent nodes (IN): 16
Transitivity: [(16)(24)(22)(14)]
Space Group: Cm
Pearson: mS32
Coordination Number (CN): 4

Year: 2013

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Data

Name	Pressure, GPa	Density, g/cm³	Gap, eV	Relative energy, eV/atom	Bulk, GPa	Shear, GPa	Vickers, GPa	Refs
4¹⁶T2 (SACADA #337)		3.463		0.664	413.4	475.8	89.7	SACADA¹
16B	20							doi: 10.1103/PhysRevB.88.014102

Elasticity tensor (kBar)¹

10367.0832	479.8766	874.6426	-0.0000	-0.0000	65.3202
479.8766	11113.8077	940.0228	-0.0000	0.0000	-167.9571
874.6426	940.0228	11173.2882	-0.0000	0.0000	3.7698
-0.0000	-0.0000	-0.0000	4137.3807	-194.7858	-0.0000
-0.0000	0.0000	0.0000	-194.7858	5159.9484	0.0000
65.3202	-167.9571	3.7698	-0.0000	0.0000	4468.1347

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