SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 1306
            [topology] => 4<sup>18</sup>T2
            [link_rcsr] => 
            [in_col] => 18
            [transitivity] => [(18)(27)(25)(16)]
            [space_group] => Cm
            [pearson] => mS36
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => 4<sup>18</sup>T2
            [sp_atoms] => 
            [caid] => 343
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.445
            [e_gap] => 
            [energy] => 0.658
            [bulk_mod] => 414.6
            [shear_mod] => 479.5
            [vicker_hard] => 90.5
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1307
            [topology] => 4<sup>18</sup>T2
            [link_rcsr] => 
            [in_col] => 18
            [transitivity] => [(18)(27)(25)(16)]
            [space_group] => Cm
            [pearson] => mS36
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => 4<sup>18</sup>T2
            [sp_atoms] => 
            [caid] => 343
            [nn] => 1
            [name] => 18B
            [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: 343

Topology: 4¹⁸T2

# of independent nodes (IN): 18
Transitivity: [(18)(27)(25)(16)]
Space Group: Cm
Pearson: mS36
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
4¹⁸T2 (SACADA #343)		3.445		0.658	414.6	479.5	90.5	SACADA¹
18B	20							doi: 10.1103/PhysRevB.88.014102

Elasticity tensor (kBar)¹

11723.9978	299.8771	625.5419	-0.0000	-0.0000	142.3496
299.8771	11239.3401	949.0928	0.0000	0.0000	119.8587
625.5419	949.0928	10611.2797	0.0000	0.0000	-203.1360
-0.0000	0.0000	0.0000	4437.9128	196.5769	0.0000
-0.0000	0.0000	0.0000	196.5769	5033.1732	0.0000
142.3496	119.8587	-203.1360	0.0000	0.0000	4083.0980

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