SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 1877
            [topology] => stc-4,4-Fddd
            [link_rcsr] => 
            [in_col] => 2
            [transitivity] => [2331]
            [space_group] => Fddd
            [pearson] => oF32
            [cn] => 4
            [Year] => 2021
            [cn_sort] => 004-
            [topology_str] => stc-4,4-Fddd
            [sp_atoms] => 
            [caid] => 627
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.648
            [e_gap] => 
            [energy] => 1.131
            [bulk_mod] => 433.0
            [shear_mod] => 515.5
            [vicker_hard] => 97.7
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1878
            [topology] => stc-4,4-Fddd
            [link_rcsr] => 
            [in_col] => 2
            [transitivity] => [2331]
            [space_group] => Fddd
            [pearson] => oF32
            [cn] => 4
            [Year] => 2021
            [cn_sort] => 004-
            [topology_str] => stc-4,4-Fddd
            [sp_atoms] => 
            [caid] => 627
            [nn] => 1
            [name] => stc-4,4-Fddd
            [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: 627

Topology: stc-4,4-Fddd

# of independent nodes (IN): 2
Transitivity: [2331]
Space Group: Fddd
Pearson: oF32
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
stc-4,4-Fddd (SACADA #627)		3.648		1.131	433.0	515.5	97.7	SACADA¹
stc-4,4-Fddd								doi: 10.1038/s41524-021-00491-y

Elasticity tensor (kBar)¹

9401.7931	1524.4742	767.0393	-0.0000	-0.0000	-0.0000
1524.4742	12435.6428	732.9320	0.0000	0.0000	0.0000
767.0393	732.9320	11329.4329	-0.0000	-0.0000	-0.0000
-0.0000	0.0000	0.0000	5868.9703	0.0000	-0.0000
-0.0000	0.0000	-0.0000	0.0000	5472.6356	-0.0000
-0.0000	0.0000	-0.0000	-0.0000	-0.0000	4578.4850

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