SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 1763
            [topology] => 4<sup>3</sup>T142
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3973]
            [space_group] => C2/m
            [pearson] => mS24
            [cn] => 4
            [Year] => 2021
            [cn_sort] => 004-
            [topology_str] => 4^3T142
            [sp_atoms] => 
            [caid] => 570
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.358
            [e_gap] => 
            [energy] => 0.217
            [bulk_mod] => 415.1
            [shear_mod] => 427.3
            [vicker_hard] => 77.8
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1764
            [topology] => 4<sup>3</sup>T142
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3973]
            [space_group] => C2/m
            [pearson] => mS24
            [cn] => 4
            [Year] => 2021
            [cn_sort] => 004-
            [topology_str] => 4^3T142
            [sp_atoms] => 
            [caid] => 570
            [nn] => 1
            [name] => 4<sup>3</sup>T142
            [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: 570

Topology: 4³T142

# of independent nodes (IN): 3
Transitivity: [3973]
Space Group: C2/m
Pearson: mS24
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
4³T142 (SACADA #570)		3.358		0.217	415.1	427.3	77.8	SACADA¹
4³T142								doi: 10.1038/s41524-021-00491-y

Elasticity tensor (kBar)¹

9763.9231	1541.3235	1099.2358	-0.0000	0.0000	-111.1434
1541.3235	9481.6235	834.0869	-0.0000	-0.0000	170.5688
1099.2358	834.0869	11211.0620	0.0000	0.0000	-275.2915
-0.0000	0.0000	0.0000	3390.9274	-203.4091	0.0000
0.0000	-0.0000	0.0000	-203.4091	4304.5785	0.0000
-111.1434	170.5688	-275.2915	0.0000	-0.0000	4886.3752

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