SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 752
            [topology] => alb-x-d
            [link_rcsr] => http://rcsr.net/nets/alb-x-d
            [in_col] => 3
            [transitivity] => [3442]
            [space_group] => P6/mmm
            [pearson] => hP16
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => alb-x-d
            [sp_atoms] => 
            [caid] => 163
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 2.812
            [e_gap] => 
            [energy] => 0.940
            [bulk_mod] => 325.4
            [shear_mod] => 319.9
            [vicker_hard] => 56.8
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 753
            [topology] => alb-x-d
            [link_rcsr] => http://rcsr.net/nets/alb-x-d
            [in_col] => 3
            [transitivity] => [3442]
            [space_group] => P6/mmm
            [pearson] => hP16
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => alb-x-d
            [sp_atoms] => 
            [caid] => 163
            [nn] => 1
            [name] => hex-C16
            [pressure] => 
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2013_Diamond_RelatedNanostructures_6_75_89
            [publ_year] => 2013
            [ref] => 
        )

)

SACADA Database Code: 163

Topology: alb-x-d

# of independent nodes (IN): 3
Transitivity: [3442]
Space Group: P6/mmm
Pearson: hP16
Coordination Number (CN): 4

Year: 2013

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Data

Name	Pressure, GPa	Density, g/cm³	Gap, eV	Relative energy, eV/atom	Bulk, GPa	Shear, GPa	Vickers, GPa	Refs
alb-x-d (SACADA #163)		2.812		0.940	325.4	319.9	56.8	SACADA¹
hex-C16								doi: 10.1007/978-94-007-6371-5_4

Elasticity tensor (kBar)¹

8449.7885	842.9353	761.4639	0.0000	0.0000	0.0000
842.9353	8449.7885	761.4639	0.0000	-0.0000	-0.0000
761.4639	761.4639	7687.6022	0.0000	0.0000	-0.0000
0.0000	0.0000	0.0000	3803.4266	0.0000	-0.0000
0.0000	-0.0000	0.0000	0.0000	2536.8153	0.0000
0.0000	-0.0000	-0.0000	-0.0000	0.0000	2536.8152

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