SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 1316
            [topology] => 4<sup>20</sup>T3
            [link_rcsr] => 
            [in_col] => 14
            [transitivity] => [(20)(32)(31)(19)]
            [space_group] => P2/m
            [pearson] => mP40
            [cn] => 4
            [Year] => 2016
            [cn_sort] => 004-
            [topology_str] => 4<sup>20</sup>T3
            [sp_atoms] => 
            [caid] => 348
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.509
            [e_gap] => 
            [energy] => 0.604
            [bulk_mod] => 422.9
            [shear_mod] => 495.0
            [vicker_hard] => 93.6
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1317
            [topology] => 4<sup>20</sup>T3
            [link_rcsr] => 
            [in_col] => 14
            [transitivity] => [(20)(32)(31)(19)]
            [space_group] => P2/m
            [pearson] => mP40
            [cn] => 4
            [Year] => 2016
            [cn_sort] => 004-
            [topology_str] => 4<sup>20</sup>T3
            [sp_atoms] => 
            [caid] => 348
            [nn] => 1
            [name] => 9
            [pressure] => 
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2016_PhysRevB_93_085201
            [publ_year] => 2016
            [ref] => 
        )

)

SACADA Database Code: 348

Topology: 4²⁰T3

# of independent nodes (IN): 14
Transitivity: [(20)(32)(31)(19)]
Space Group: P2/m
Pearson: mP40
Coordination Number (CN): 4

Year: 2016

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Data

Name	Pressure, GPa	Density, g/cm³	Gap, eV	Relative energy, eV/atom	Bulk, GPa	Shear, GPa	Vickers, GPa	Refs
4²⁰T3 (SACADA #348)		3.509		0.604	422.9	495.0	93.6	SACADA¹
9								doi: 10.1103/PhysRevB.93.085201

Elasticity tensor (kBar)¹

10938.3039	277.5434	1261.0313	0.0000	0.0000	1.7360
277.5434	11281.9437	1221.0794	-0.0000	-0.0000	0.3294
1261.0313	1221.0794	10320.6970	-0.0000	-0.0000	9.1574
0.0000	-0.0000	-0.0000	4372.1880	0.0980	-0.0000
0.0000	-0.0000	-0.0000	0.0980	5397.7225	-0.0000
1.7360	0.3294	9.1574	-0.0000	-0.0000	5160.0694

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