SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 1751
            [topology] => 4<sup>3</sup>T61-CA
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3544]
            [space_group] => P63/mcm
            [pearson] => hP24
            [cn] => 4
            [Year] => 2021
            [cn_sort] => 004-
            [topology_str] => 4^3T61-CA
            [sp_atoms] => 
            [caid] => 564
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.105
            [e_gap] => 
            [energy] => 0.630
            [bulk_mod] => 308.6
            [shear_mod] => 227.9
            [vicker_hard] => 28.4
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1752
            [topology] => 4<sup>3</sup>T61-CA
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3544]
            [space_group] => P63/mcm
            [pearson] => hP24
            [cn] => 4
            [Year] => 2021
            [cn_sort] => 004-
            [topology_str] => 4^3T61-CA
            [sp_atoms] => 
            [caid] => 564
            [nn] => 1
            [name] => 4<sup>3</sup>T61-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: 564

Topology: 4³T61-CA

# of independent nodes (IN): 3
Transitivity: [3544]
Space Group: P63/mcm
Pearson: hP24
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
4³T61-CA (SACADA #564)		3.105		0.630	308.6	227.9	28.4	SACADA¹
4³T61-CA								doi: 10.1038/s41524-021-00491-y

Elasticity tensor (kBar)¹

9232.8981	1655.9234	854.2369	0.0097	-0.0000	0.0000
1655.9234	9232.8767	854.2359	0.0097	0.0000	0.0000
854.2369	854.2359	4470.7092	0.0009	0.0000	-0.0000
0.0097	0.0097	0.0009	3788.4820	0.0000	-0.0000
-0.0000	0.0000	0.0000	-0.0000	1273.0601	0.0013
0.0000	0.0000	-0.0000	-0.0000	0.0013	1273.0614

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