SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 418
            [topology] => utc
            [link_rcsr] => http://rcsr.net/nets/utc
            [in_col] => 1
            [transitivity] => [1332]
            [space_group] => I4132
            [pearson] => cI48
            [cn] => 3
            [Year] => 2017
            [cn_sort] => 003-
            [topology_str] => utc
            [sp_atoms] => 
            [caid] => 72
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 2.385
            [e_gap] => 
            [energy] => 1.206
            [bulk_mod] => 267.2
            [shear_mod] => 122.7
            [vicker_hard] => 16.7
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 419
            [topology] => utc
            [link_rcsr] => http://rcsr.net/nets/utc
            [in_col] => 1
            [transitivity] => [1332]
            [space_group] => I4132
            [pearson] => cI48
            [cn] => 3
            [Year] => 2017
            [cn_sort] => 003-
            [topology_str] => utc
            [sp_atoms] => 
            [caid] => 72
            [nn] => 1
            [name] => utc
            [pressure] => 
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2017_StructChem_28_113
            [publ_year] => 2017
            [ref] => 
        )

)

SACADA Database Code: 72

Topology: utc

# of independent nodes (IN): 1
Transitivity: [1332]
Space Group: I4132
Pearson: cI48
Coordination Number (CN): 3

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
utc (SACADA #72)		2.385		1.206	267.2	122.7	16.7	SACADA¹
utc								doi: 10.1007/s11224-016-0782-1

Elasticity tensor (kBar)¹

3590.2341	2212.9944	2212.9944	-0.0000	-0.0000	-0.0000
2212.9944	3590.2341	2212.9944	0.0000	0.0000	-0.0000
2212.9944	2212.9944	3590.2341	0.0000	-0.0000	0.0000
-0.0000	0.0000	-0.0000	1806.4674	-0.0000	-0.0000
-0.0000	0.0000	0.0000	-0.0000	1806.4674	0.0000
-0.0000	-0.0000	0.0000	-0.0000	0.0000	1806.4674

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