SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 1777
            [topology] => 4<sup>3</sup>T152-CA
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3(10)82]
            [space_group] => Pmna
            [pearson] => oP24
            [cn] => 4
            [Year] => 2021
            [cn_sort] => 004-
            [topology_str] => 4^3T152-CA
            [sp_atoms] => 
            [caid] => 577
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.269
            [e_gap] => 
            [energy] => 0.309
            [bulk_mod] => 392.7
            [shear_mod] => 381.8
            [vicker_hard] => 67.4
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1778
            [topology] => 4<sup>3</sup>T152-CA
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3(10)82]
            [space_group] => Pmna
            [pearson] => oP24
            [cn] => 4
            [Year] => 2021
            [cn_sort] => 004-
            [topology_str] => 4^3T152-CA
            [sp_atoms] => 
            [caid] => 577
            [nn] => 1
            [name] => 4<sup>3</sup>T152-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: 577

Topology: 4³T152-CA

# of independent nodes (IN): 3
Transitivity: [3(10)82]
Space Group: Pmna
Pearson: oP24
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
4³T152-CA (SACADA #577)		3.269		0.309	392.7	381.8	67.4	SACADA¹
4³T152-CA								doi: 10.1038/s41524-021-00491-y

Elasticity tensor (kBar)¹

7429.3997	1597.3776	1399.4330	0.0000	-0.0000	0.0000
1597.3776	9418.6857	1061.2937	-0.0000	0.0000	-0.0000
1399.4330	1061.2937	10635.8241	-0.0000	0.0000	0.0000
0.0000	-0.0000	-0.0000	3023.3427	-0.0000	0.0000
-0.0000	-0.0000	0.0000	-0.0000	4502.5335	-0.0000
-0.0000	0.0000	0.0000	0.0000	-0.0000	4043.1210

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