SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 1161
            [topology] => 4<sup>7</sup>T10
            [link_rcsr] => 
            [in_col] => 7
            [transitivity] => [7(14)(14)8]
            [space_group] => C2/m
            [pearson] => mS40
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => 4<sup>7</sup>T10
            [sp_atoms] => 
            [caid] => 284
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.473
            [e_gap] => 
            [energy] => 0.665
            [bulk_mod] => 429.6
            [shear_mod] => 492.0
            [vicker_hard] => 92.6
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1162
            [topology] => 4<sup>7</sup>T10
            [link_rcsr] => 
            [in_col] => 7
            [transitivity] => [7(14)(14)8]
            [space_group] => C2/m
            [pearson] => mS40
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => 4<sup>7</sup>T10
            [sp_atoms] => 
            [caid] => 284
            [nn] => 1
            [name] => 20C
            [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: 284

Topology: 4⁷T10

# of independent nodes (IN): 7
Transitivity: [7(14)(14)8]
Space Group: C2/m
Pearson: mS40
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
4⁷T10 (SACADA #284)		3.473		0.665	429.6	492.0	92.6	SACADA¹
20C	20							doi: 10.1103/PhysRevB.88.014102

Elasticity tensor (kBar)¹

11219.4387	270.6593	1385.8022	-0.0000	-0.0000	-5.4078
270.6593	10940.4708	1189.2435	0.0000	0.0000	4.2931
1385.8022	1189.2435	10840.1222	0.0000	0.0000	-3.8603
-0.0000	0.0000	-0.0000	4175.8403	1.1876	-0.0000
-0.0000	0.0000	0.0000	1.1876	5033.6075	-0.0000
-5.4078	4.2931	-3.8603	-0.0000	-0.0000	5466.1450

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