SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 1229
            [topology] => 4<sup>10</sup>T8
            [link_rcsr] => 
            [in_col] => 10
            [transitivity] => [(10)(15)(14)9]
            [space_group] => Pmn21
            [pearson] => oP20
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => 4<sup>10</sup>T8
            [sp_atoms] => 
            [caid] => 312
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.478
            [e_gap] => 
            [energy] => 0.648
            [bulk_mod] => 416.0
            [shear_mod] => 481.2
            [vicker_hard] => 90.8
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1230
            [topology] => 4<sup>10</sup>T8
            [link_rcsr] => 
            [in_col] => 10
            [transitivity] => [(10)(15)(14)9]
            [space_group] => Pmn21
            [pearson] => oP20
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => 4<sup>10</sup>T8
            [sp_atoms] => 
            [caid] => 312
            [nn] => 1
            [name] => 20A
            [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: 312

Topology: 4¹⁰T8

# of independent nodes (IN): 10
Transitivity: [(10)(15)(14)9]
Space Group: Pmn21
Pearson: oP20
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
4¹⁰T8 (SACADA #312)		3.478		0.648	416.0	481.2	90.8	SACADA¹
20A	20							doi: 10.1103/PhysRevB.88.014102

Elasticity tensor (kBar)¹

11158.6966	477.5196	961.4937	-0.0000	0.0000	-0.0000
477.5196	10607.8254	803.6879	0.0000	-0.0000	-0.0000
961.4937	803.6879	11225.3198	0.0000	-0.0000	0.0000
-0.0000	0.0000	0.0000	4223.3429	0.0000	-0.0000
0.0000	0.0000	-0.0000	0.0000	4492.9977	-0.0000
-0.0000	-0.0000	0.0000	-0.0000	-0.0000	5186.1847

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