SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 1314
            [topology] => 4<sup>20</sup>T2
            [link_rcsr] => 
            [in_col] => 20
            [transitivity] => [(20)(30)(28)(18)]
            [space_group] => Pm
            [pearson] => mP20
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => 4<sup>20</sup>T2
            [sp_atoms] => 
            [caid] => 347
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.476
            [e_gap] => 
            [energy] => 0.653
            [bulk_mod] => 416.5
            [shear_mod] => 484.5
            [vicker_hard] => 91.5
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1315
            [topology] => 4<sup>20</sup>T2
            [link_rcsr] => 
            [in_col] => 20
            [transitivity] => [(20)(30)(28)(18)]
            [space_group] => Pm
            [pearson] => mP20
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => 4<sup>20</sup>T2
            [sp_atoms] => 
            [caid] => 347
            [nn] => 1
            [name] => 20B
            [pressure] => 20
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2013_PhysRev_B_88_014102
            [publ_year] => 2013
            [ref] => 
        )

)

SACADA Database Code: 347

Topology: 4²⁰T2

# of independent nodes (IN): 20
Transitivity: [(20)(30)(28)(18)]
Space Group: Pm
Pearson: mP20
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
4²⁰T2 (SACADA #347)		3.476		0.653	416.5	484.5	91.5	SACADA¹
20B	20							doi: 10.1103/PhysRevB.88.014102

Elasticity tensor (kBar)¹

10683.2323	439.0584	790.5669	0.0000	-0.0000	292.2159
439.0584	11258.0499	896.3204	0.0000	0.0000	-269.6932
790.5669	896.3204	11322.2016	-0.0000	0.0000	-106.1034
0.0000	0.0000	-0.0000	4242.6685	-326.6382	0.0000
-0.0000	0.0000	0.0000	-326.6382	5178.1421	-0.0000
292.2159	-269.6932	-106.1034	0.0000	-0.0000	4517.2447

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