SACADA 3D

xxx

Array
(
    [0] => Array
        (
            [id] => 1861
            [topology] => cus
            [link_rcsr] => 
            [in_col] => 2
            [transitivity] => [2442]
            [space_group] => Cmcm
            [pearson] => oS16
            [cn] => 4
            [Year] => 2021
            [cn_sort] => 004-
            [topology_str] => cus
            [sp_atoms] => 
            [caid] => 619
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.038
            [e_gap] => 
            [energy] => 0.423
            [bulk_mod] => 364.1
            [shear_mod] => 300.1
            [vicker_hard] => 44.2
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1862
            [topology] => cus
            [link_rcsr] => 
            [in_col] => 2
            [transitivity] => [2442]
            [space_group] => Cmcm
            [pearson] => oS16
            [cn] => 4
            [Year] => 2021
            [cn_sort] => 004-
            [topology_str] => cus
            [sp_atoms] => 
            [caid] => 619
            [nn] => 1
            [name] => cus
            [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: 619

Topology: cus

# of independent nodes (IN): 2
Transitivity: [2442]
Space Group: Cmcm
Pearson: oS16
Coordination Number (CN): 4

Year: 2021

Download CIF File

Download PDF report

Data

Name	Pressure, GPa	Density, g/cm³	Gap, eV	Relative energy, eV/atom	Bulk, GPa	Shear, GPa	Vickers, GPa	Refs
cus (SACADA #619)		3.038		0.423	364.1	300.1	44.2	SACADA¹
cus								doi: 10.1038/s41524-021-00491-y

Elasticity tensor (kBar)¹

9770.6093	864.2127	408.6641	0.0000	-0.0000	0.0000
864.2127	8289.0855	1444.7654	0.0000	0.0000	-0.0000
408.6641	1444.7654	9282.8567	-0.0000	-0.0000	-0.0000
0.0000	0.0000	-0.0000	3114.3793	0.0000	-0.0000
-0.0000	0.0000	-0.0000	0.0000	1441.8764	-0.0000
0.0000	-0.0000	-0.0000	-0.0000	-0.0000	3397.6188

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.

Click here for more details

© 2016 – 2025 SCTMS

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