SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 1053
            [topology] => 4<sup>5</sup>T27
            [link_rcsr] => 
            [in_col] => 5
            [transitivity] => [5984]
            [space_group] => C2/m
            [pearson] => mS20
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => 4<sup>5</sup>T27
            [sp_atoms] => 
            [caid] => 246
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.389
            [e_gap] => 
            [energy] => 0.730
            [bulk_mod] => 413.7
            [shear_mod] => 456.6
            [vicker_hard] => 85.3
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1054
            [topology] => 4<sup>5</sup>T27
            [link_rcsr] => 
            [in_col] => 5
            [transitivity] => [5984]
            [space_group] => C2/m
            [pearson] => mS20
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => 4<sup>5</sup>T27
            [sp_atoms] => 
            [caid] => 246
            [nn] => 1
            [name] => 10A
            [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: 246

Topology: 4⁵T27

# of independent nodes (IN): 5
Transitivity: [5984]
Space Group: C2/m
Pearson: mS20
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
4⁵T27 (SACADA #246)		3.389		0.730	413.7	456.6	85.3	SACADA¹
10A	20							doi: 10.1103/PhysRevB.88.014102

Elasticity tensor (kBar)¹

9537.2677	394.2039	1170.6645	0.0000	0.0000	453.5369
394.2039	11207.8303	1005.4088	-0.0000	-0.0000	-293.5233
1170.6645	1005.4088	11529.6977	-0.0000	0.0000	9.7039
0.0000	-0.0000	-0.0000	3584.9671	-218.1697	0.0000
0.0000	-0.0000	0.0000	-218.1697	5301.5324	0.0000
453.5369	-293.5233	9.7039	0.0000	0.0000	4302.8554

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