SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 986
            [topology] => fer
            [link_rcsr] => http://rcsr.net/nets/fer
            [in_col] => 4
            [transitivity] => [4874]
            [space_group] => Immm
            [pearson] => ol36
            [cn] => 4
            [Year] => 1993
            [cn_sort] => 004-
            [topology_str] => fer
            [sp_atoms] => 
            [caid] => 226
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 2.940
            [e_gap] => 
            [energy] => 1.059
            [bulk_mod] => 332.5
            [shear_mod] => 312.1
            [vicker_hard] => 53.6
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 987
            [topology] => fer
            [link_rcsr] => http://rcsr.net/nets/fer
            [in_col] => 4
            [transitivity] => [4874]
            [space_group] => Immm
            [pearson] => ol36
            [cn] => 4
            [Year] => 1993
            [cn_sort] => 004-
            [topology_str] => fer
            [sp_atoms] => 
            [caid] => 226
            [nn] => 1
            [name] => C-FER
            [pressure] => 
            [density] => 
            [e_gap] => 2.5
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/1993_Angew_Nesper_foam_C
            [publ_year] => 1993
            [ref] => 
        )

)

SACADA Database Code: 226

Topology: fer

# of independent nodes (IN): 4
Transitivity: [4874]
Space Group: Immm
Pearson: ol36
Coordination Number (CN): 4

Year: 1993

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Data

Name	Pressure, GPa	Density, g/cm³	Gap, eV	Relative energy, eV/atom	Bulk, GPa	Shear, GPa	Vickers, GPa	Refs
fer (SACADA #226)		2.940		1.059	332.5	312.1	53.6	SACADA¹
C-FER			2.5					doi: 10.1002/anie.199307011

Elasticity tensor (kBar)¹

6839.0559	464.1122	630.1951	33.2898	-0.9174	1.6266
464.1122	10836.9804	26.9832	-13.6266	-1.2317	0.1135
630.1951	26.9832	10493.6537	-4.8664	1.0033	0.8143
33.2898	-13.6266	-4.8664	1833.1307	0.2295	2.1271
-0.9174	-1.2317	1.0033	0.2295	3792.0499	-2.4650
1.6266	0.1135	0.8143	2.1271	-2.4650	2176.1872

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