SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 1153
            [topology] => 4<sup>7</sup>T9
            [link_rcsr] => 
            [in_col] => 7
            [transitivity] => [7(12)(10)6]
            [space_group] => P21/m
            [pearson] => mP14
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => 4<sup>7</sup>T9
            [sp_atoms] => 
            [caid] => 280
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.414
            [e_gap] => 
            [energy] => 0.688
            [bulk_mod] => 425.0
            [shear_mod] => 482.5
            [vicker_hard] => 90.7
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1154
            [topology] => 4<sup>7</sup>T9
            [link_rcsr] => 
            [in_col] => 7
            [transitivity] => [7(12)(10)6]
            [space_group] => P21/m
            [pearson] => mP14
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => 4<sup>7</sup>T9
            [sp_atoms] => 
            [caid] => 280
            [nn] => 1
            [name] => 14D
            [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: 280

Topology: 4⁷T9

# of independent nodes (IN): 7
Transitivity: [7(12)(10)6]
Space Group: P21/m
Pearson: mP14
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
4⁷T9 (SACADA #280)		3.414		0.688	425.0	482.5	90.7	SACADA¹
14D	20							doi: 10.1103/PhysRevB.88.014102

Elasticity tensor (kBar)¹

10769.8932	981.3170	613.2800	0.0000	-0.0000	-36.8283
981.3170	11555.6083	289.2522	0.0000	-0.0000	-110.7727
613.2800	289.2522	12170.0526	-0.0000	0.0000	139.0922
0.0000	0.0000	-0.0000	5083.0989	-178.4720	-0.0000
-0.0000	-0.0000	0.0000	-178.4720	4435.7327	0.0000
-36.8283	-110.7727	139.0922	-0.0000	0.0000	3947.2111

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