SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 1729
            [topology] => 4<sup>3</sup>T49-CA
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3775]
            [space_group] => Immm
            [pearson] => oI24
            [cn] => 4
            [Year] => 2021
            [cn_sort] => 004-
            [topology_str] => 4^3T49-CA
            [sp_atoms] => 
            [caid] => 553
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.183
            [e_gap] => 
            [energy] => 0.582
            [bulk_mod] => 330.0
            [shear_mod] => 301.1
            [vicker_hard] => 50.5
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1730
            [topology] => 4<sup>3</sup>T49-CA
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3775]
            [space_group] => Immm
            [pearson] => oI24
            [cn] => 4
            [Year] => 2021
            [cn_sort] => 004-
            [topology_str] => 4^3T49-CA
            [sp_atoms] => 
            [caid] => 553
            [nn] => 1
            [name] => 4<sup>3</sup>T49-CA
            [pressure] => 
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2021_npjComputMater_7_15
            [publ_year] => 2021
            [ref] => doi:&nbsp;<a href="http://doi.org/10.1038/s41524-021-00491-y" target="_blank">10.1038/s41524-021-00491-y</a>
        )

)

SACADA Database Code: 553

Topology: 4³T49-CA

# of independent nodes (IN): 3
Transitivity: [3775]
Space Group: Immm
Pearson: oI24
Coordination Number (CN): 4

Year: 2021

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Data

Name	Pressure, GPa	Density, g/cm³	Gap, eV	Relative energy, eV/atom	Bulk, GPa	Shear, GPa	Vickers, GPa	Refs
4³T49-CA (SACADA #553)		3.183		0.582	330.0	301.1	50.5	SACADA¹
4³T49-CA								doi: 10.1038/s41524-021-00491-y

Elasticity tensor (kBar)¹

5852.3506	437.4327	629.2193	0.0000	0.0000	0.0000
437.4327	10319.7756	1741.9449	0.0000	-0.0000	-0.0000
629.2193	1741.9449	9158.0091	-0.0000	-0.0000	0.0000
0.0000	0.0000	-0.0000	2336.3532	-0.0000	0.0000
0.0000	-0.0000	-0.0000	-0.0000	3871.2996	-0.0000
0.0000	-0.0000	0.0000	0.0000	-0.0000	2033.1574

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