SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 1907
            [topology] => 4<sup>3</sup>T205-CA
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3663]
            [space_group] => P2221
            [pearson] => oP8
            [cn] => 4
            [Year] => 2023
            [cn_sort] => 004-
            [topology_str] => 4^3T205-CA
            [sp_atoms] => 
            [caid] => 642
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.397
            [e_gap] => 
            [energy] => 0.836
            [bulk_mod] => 364.0
            [shear_mod] => 343.4
            [vicker_hard] => 59.3
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1908
            [topology] => 4<sup>3</sup>T205-CA
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3663]
            [space_group] => P2221
            [pearson] => oP8
            [cn] => 4
            [Year] => 2023
            [cn_sort] => 004-
            [topology_str] => 4^3T205-CA
            [sp_atoms] => 
            [caid] => 642
            [nn] => 1
            [name] => 4<sup>3</sup>T205-CA
            [pressure] => 
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2023_ActaCrystB_79
            [publ_year] => 2023
            [ref] => doi:&nbsp;<a href="http://doi.org/10.1107/S205252062300255X" target="_blank">10.1107/S205252062300255X</a>
        )

)

SACADA Database Code: 642

Topology: 4³T205-CA

# of independent nodes (IN): 3
Transitivity: [3663]
Space Group: P2221
Pearson: oP8
Coordination Number (CN): 4

Year: 2023

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Data

Name	Pressure, GPa	Density, g/cm³	Gap, eV	Relative energy, eV/atom	Bulk, GPa	Shear, GPa	Vickers, GPa	Refs
4³T205-CA (SACADA #642)		3.397		0.836	364.0	343.4	59.3	SACADA¹
4³T205-CA								doi: 10.1107/S205252062300255X

Elasticity tensor (kBar)¹

8520.2203	573.1205	1573.5349	-0.0000	0.0000	-0.0000
573.1205	11951.2711	1128.2150	0.0000	-0.0000	-0.0000
1573.5349	1128.2150	6389.1935	-0.0000	-0.0000	-0.0000
-0.0000	0.0000	0.0000	4231.4267	-0.0000	0.0000
0.0000	-0.0000	-0.0000	0.0000	4445.1852	-0.0000
0.0000	-0.0000	-0.0000	0.0000	-0.0000	1840.1060

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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© 2016 – 2025 SCTMS

Team References support@sacada.info Cite this: Angew. Chem. Int. Ed. 2016, 55, 10962–10976