SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 1881
            [topology] => umv
            [link_rcsr] => 
            [in_col] => 1
            [transitivity] => [1431]
            [space_group] => Fddd
            [pearson] => oF32
            [cn] => 4
            [Year] => 2021
            [cn_sort] => 004-
            [topology_str] => umv
            [sp_atoms] => 
            [caid] => 629
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.000
            [e_gap] => 
            [energy] => 0.977
            [bulk_mod] => 293.1
            [shear_mod] => 133.6
            [vicker_hard] => 18.2
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1882
            [topology] => umv
            [link_rcsr] => 
            [in_col] => 1
            [transitivity] => [1431]
            [space_group] => Fddd
            [pearson] => oF32
            [cn] => 4
            [Year] => 2021
            [cn_sort] => 004-
            [topology_str] => umv
            [sp_atoms] => 
            [caid] => 629
            [nn] => 1
            [name] => umv
            [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: 629

Topology: umv

# of independent nodes (IN): 1
Transitivity: [1431]
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
umv (SACADA #629)		3.000		0.977	293.1	133.6	18.2	SACADA¹
umv								doi: 10.1038/s41524-021-00491-y

Elasticity tensor (kBar)¹

6574.4881	-487.9301	1332.7113	0.0000	-0.0000	0.0000
-487.9301	7195.8142	3198.5934	0.0000	0.0000	0.0000
1332.7113	3198.5934	4751.9337	-0.0000	0.0000	-0.0000
0.0000	0.0000	-0.0000	2612.6893	0.0000	0.0000
0.0000	-0.0000	0.0000	-0.0000	3425.7192	-0.0000
0.0000	0.0000	-0.0000	0.0000	-0.0000	2499.9520

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