SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 420
            [topology] => mon
            [link_rcsr] => http://rcsr.net/nets/mon
            [in_col] => 1
            [transitivity] => [1342]
            [space_group] => I41/amd
            [pearson] => tI16
            [cn] => 4
            [Year] => 2014
            [cn_sort] => 004-
            [topology_str] => mon
            [sp_atoms] => 
            [caid] => 73
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 2.970
            [e_gap] => 
            [energy] => 0.499
            [bulk_mod] => 349.1
            [shear_mod] => 314.5
            [vicker_hard] => 52.0
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 421
            [topology] => mon
            [link_rcsr] => http://rcsr.net/nets/mon
            [in_col] => 1
            [transitivity] => [1342]
            [space_group] => I41/amd
            [pearson] => tI16
            [cn] => 4
            [Year] => 2014
            [cn_sort] => 004-
            [topology_str] => mon
            [sp_atoms] => 
            [caid] => 73
            [nn] => 1
            [name] => LA10
            [pressure] => 
            [density] => 2.904
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2014_J_Exp_Theor_Physics_119_1_101
            [publ_year] => 2014
            [ref] => 
        )

)

SACADA Database Code: 73

Topology: mon

# of independent nodes (IN): 1
Transitivity: [1342]
Space Group: I41/amd
Pearson: tI16
Coordination Number (CN): 4

Year: 2014

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Data

Name	Pressure, GPa	Density, g/cm³	Gap, eV	Relative energy, eV/atom	Bulk, GPa	Shear, GPa	Vickers, GPa	Refs
mon (SACADA #73)		2.970		0.499	349.1	314.5	52.0	SACADA¹
LA10		2.904						doi: 10.1134/s1063776114060090

Elasticity tensor (kBar)¹

10085.1157	269.9251	477.6526	-0.0000	-0.0000	-0.0000
269.9251	10085.1157	477.6526	0.0000	-0.0000	-0.0000
477.6526	477.6526	8838.4618	0.0000	0.0000	0.0000
0.0000	-0.0000	0.0000	1564.1009	-0.0000	-0.0000
-0.0000	-0.0000	0.0000	-0.0000	3067.5245	0.0000
-0.0000	-0.0000	-0.0000	-0.0000	0.0000	3067.5243

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