SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 1268
            [topology] => 4<sup>13</sup>T3
            [link_rcsr] => 
            [in_col] => 13
            [transitivity] => [(13)(17)(16)(13)]
            [space_group] => Cmcm
            [pearson] => oS72
            [cn] => 4
            [Year] => 2016
            [cn_sort] => 004-
            [topology_str] => 4<sup>13</sup>T3
            [sp_atoms] => 
            [caid] => 330
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.504
            [e_gap] => 
            [energy] => 0.608
            [bulk_mod] => 422.0
            [shear_mod] => 493.5
            [vicker_hard] => 93.3
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1269
            [topology] => 4<sup>13</sup>T3
            [link_rcsr] => 
            [in_col] => 13
            [transitivity] => [(13)(17)(16)(13)]
            [space_group] => Cmcm
            [pearson] => oS72
            [cn] => 4
            [Year] => 2016
            [cn_sort] => 004-
            [topology_str] => 4<sup>13</sup>T3
            [sp_atoms] => 
            [caid] => 330
            [nn] => 1
            [name] => 8(I)
            [pressure] => 
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2016_PhysRevB_93_085201
            [publ_year] => 2016
            [ref] => 
        )

)

SACADA Database Code: 330

Topology: 4¹³T3

# of independent nodes (IN): 13
Transitivity: [(13)(17)(16)(13)]
Space Group: Cmcm
Pearson: oS72
Coordination Number (CN): 4

Year: 2016

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Data

Name	Pressure, GPa	Density, g/cm³	Gap, eV	Relative energy, eV/atom	Bulk, GPa	Shear, GPa	Vickers, GPa	Refs
4¹³T3 (SACADA #330)		3.504		0.608	422.0	493.5	93.3	SACADA¹
8(I)								doi: 10.1103/PhysRevB.93.085201

Elasticity tensor (kBar)¹

11261.6948	1213.9283	281.6473	-0.0000	0.0000	-0.0000
1213.9283	10316.8380	1260.1224	-0.0000	-0.0000	-0.0000
281.6473	1260.1224	10890.1570	0.0000	-0.0000	-0.0000
-0.0000	-0.0000	0.0000	5380.3769	0.0000	0.0000
0.0000	-0.0000	-0.0000	0.0000	5144.0119	-0.0000
-0.0000	-0.0000	-0.0000	0.0000	-0.0000	4349.6736

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