SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 1503
            [topology] => 4<sup>3</sup>T178
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3774]
            [space_group] => Cmm2
            [pearson] => oS16
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>3</sup>T178
            [sp_atoms] => 
            [caid] => 440
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.013
            [e_gap] => 
            [energy] => 1.077
            [bulk_mod] => 355.0
            [shear_mod] => 295.3
            [vicker_hard] => 44.1
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1504
            [topology] => 4<sup>3</sup>T178
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3774]
            [space_group] => Cmm2
            [pearson] => oS16
            [cn] => 4
            [Year] => 2017
            [cn_sort] => 004-
            [topology_str] => 4<sup>3</sup>T178
            [sp_atoms] => 
            [caid] => 440
            [nn] => 1
            [name] => G145
            [pressure] => 
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2017_ChemPhysChem_18_873
            [publ_year] => 2017
            [ref] => 
        )

)

SACADA Database Code: 440

Topology: 4³T178

# of independent nodes (IN): 3
Transitivity: [3774]
Space Group: Cmm2
Pearson: oS16
Coordination Number (CN): 4

Year: 2017

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Data

Name	Pressure, GPa	Density, g/cm³	Gap, eV	Relative energy, eV/atom	Bulk, GPa	Shear, GPa	Vickers, GPa	Refs
4³T178 (SACADA #440)		3.013		1.077	355.0	295.3	44.1	SACADA¹
G145								doi: 10.1002/cphc.201700151

Elasticity tensor (kBar)¹

9015.1558	853.2829	1070.0963	1.8360	0.0233	-1.2547
853.2829	8324.1276	1195.7701	2.8647	0.9842	0.5161
1070.0963	1195.7701	8387.6055	11.9154	-2.0829	1.4766
1.8360	2.8647	11.9154	3364.9994	2.7274	-3.2689
0.0233	0.9842	-2.0829	2.7274	2911.0660	2.1002
-1.2547	0.5161	1.4766	-3.2689	2.1002	1653.5396

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