SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 615
            [topology] => fsg-3,4-Cmmm-2
            [link_rcsr] => 
            [in_col] => 2
            [transitivity] => [2453]
            [space_group] => Cmmm
            [pearson] => oS16
            [cn] => 3, 4 (1:1)
            [Year] => 1999
            [cn_sort] => 003-004-001-001-
            [topology_str] => fsg-3,4-Cmmm-2
            [sp_atoms] => 
            [caid] => 130
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 2.795
            [e_gap] => 
            [energy] => 0.991
            [bulk_mod] => 294.9
            [shear_mod] => 237.3
            [vicker_hard] => 33.7
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 616
            [topology] => fsg-3,4-Cmmm-2
            [link_rcsr] => 
            [in_col] => 2
            [transitivity] => [2453]
            [space_group] => Cmmm
            [pearson] => oS16
            [cn] => 3, 4 (1:1)
            [Year] => 1999
            [cn_sort] => 003-004-001-001-
            [topology_str] => fsg-3,4-Cmmm-2
            [sp_atoms] => 
            [caid] => 130
            [nn] => 1
            [name] => diamcr43bo
            [pressure] => 
            [density] => 2.673
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/1999_JSolStateChem_148_278
            [publ_year] => 1999
            [ref] => 
        )

)

SACADA Database Code: 130

Topology: fsg-3,4-Cmmm-2

# of independent nodes (IN): 2
Transitivity: [2453]
Space Group: Cmmm
Pearson: oS16
Coordination Number (CN): 3, 4 (1:1)

Year: 1999

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Data

Name	Pressure, GPa	Density, g/cm³	Gap, eV	Relative energy, eV/atom	Bulk, GPa	Shear, GPa	Vickers, GPa	Refs
fsg-3,4-Cmmm-2 (SACADA #130)		2.795		0.991	294.9	237.3	33.7	SACADA¹
diamcr43bo		2.673						doi: 10.1006/jssc.1999.8448

Elasticity tensor (kBar)¹

8274.9217	1511.6189	1329.1766	-0.0000	-0.0000	0.0000
1511.6189	3494.9837	922.7936	-0.0000	-0.0000	-0.0000
1329.1766	922.7936	9800.6500	0.0000	0.0000	-0.0000
-0.0000	-0.0000	0.0000	1767.5523	0.0000	0.0000
-0.0000	0.0000	0.0000	0.0000	1439.8352	-0.0000
0.0000	-0.0000	-0.0000	0.0000	-0.0000	4022.5482

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