SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 152
            [topology] => bsn
            [link_rcsr] => http://rcsr.net/nets/bsn
            [in_col] => 1
            [transitivity] => [1221]
            [space_group] => I41/amd
            [pearson] => tl4
            [cn] => 6
            [Year] => 1983
            [cn_sort] => 006-
            [topology_str] => bsn
            [sp_atoms] => 
            [caid] => 21
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.545
            [e_gap] => 
            [energy] => 0.000
            [bulk_mod] => 447.9
            [shear_mod] => 528.1
            [vicker_hard] => 100.0
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 153
            [topology] => bsn
            [link_rcsr] => http://rcsr.net/nets/bsn
            [in_col] => 1
            [transitivity] => [1221]
            [space_group] => I41/amd
            [pearson] => tl4
            [cn] => 6
            [Year] => 1983
            [cn_sort] => 006-
            [topology_str] => bsn
            [sp_atoms] => 
            [caid] => 21
            [nn] => 1
            [name] => beta-tin
            [pressure] => 
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/1983_PhysRevLett_50_2006
            [publ_year] => 1983
            [ref] => 
        )

    [2] => Array
        (
            [id] => 154
            [topology] => bsn
            [link_rcsr] => http://rcsr.net/nets/bsn
            [in_col] => 1
            [transitivity] => [1221]
            [space_group] => I41/amd
            [pearson] => tl4
            [cn] => 6
            [Year] => 1983
            [cn_sort] => 006-
            [topology_str] => bsn
            [sp_atoms] => 
            [caid] => 21
            [nn] => 2
            [name] => beta-tin
            [pressure] => 
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/1987_PhysRevB_36_3373
            [publ_year] => 1987
            [ref] => 
        )

)

SACADA Database Code: 21

Topology: bsn

# of independent nodes (IN): 1
Transitivity: [1221]
Space Group: I41/amd
Pearson: tl4
Coordination Number (CN): 6

Year: 1983

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Data

Name	Pressure, GPa	Density, g/cm³	Gap, eV	Relative energy, eV/atom	Bulk, GPa	Shear, GPa	Vickers, GPa	Refs
bsn (SACADA #21)		3.545		0.000	447.9	528.1	100.0	SACADA¹
beta-tin								doi: 10.1103/PhysRevLett.50.2006
beta-tin								link

Elasticity tensor (kBar)¹

11786.4407	273.2345	1381.6322	0.0000	0.0000	-0.0000
273.2345	11786.4407	1381.6322	-0.0000	-0.0000	0.0000
1381.6322	1381.6322	10662.3413	0.0000	0.0000	-0.0000
0.0000	-0.0000	0.0000	4640.9411	0.0000	0.0000
0.0000	-0.0000	0.0000	0.0000	5754.6867	0.0000
-0.0000	0.0000	-0.0000	0.0000	0.0000	5754.6866

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