SACADA 3D

xxx

Array
(
    [0] => Array
        (
            [id] => 1283
            [topology] => 4<sup>16</sup>T3
            [link_rcsr] => 
            [in_col] => 16
            [transitivity] => [(16)(24)(22)(14)]
            [space_group] => Pm
            [pearson] => mP16
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => 4<sup>16</sup>T3
            [sp_atoms] => 
            [caid] => 336
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.459
            [e_gap] => 
            [energy] => 0.668
            [bulk_mod] => 413.6
            [shear_mod] => 475.5
            [vicker_hard] => 89.6
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1284
            [topology] => 4<sup>16</sup>T3
            [link_rcsr] => 
            [in_col] => 16
            [transitivity] => [(16)(24)(22)(14)]
            [space_group] => Pm
            [pearson] => mP16
            [cn] => 4
            [Year] => 2013
            [cn_sort] => 004-
            [topology_str] => 4<sup>16</sup>T3
            [sp_atoms] => 
            [caid] => 336
            [nn] => 1
            [name] => 16D
            [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: 336

Topology: 4¹⁶T3

# of independent nodes (IN): 16
Transitivity: [(16)(24)(22)(14)]
Space Group: Pm
Pearson: mP16
Coordination Number (CN): 4

Year: 2013

Download CIF File

Download PDF report

Data

Name	Pressure, GPa	Density, g/cm³	Gap, eV	Relative energy, eV/atom	Bulk, GPa	Shear, GPa	Vickers, GPa	Refs
4¹⁶T3 (SACADA #336)		3.459		0.668	413.6	475.5	89.6	SACADA¹
16D	20							doi: 10.1103/PhysRevB.88.014102

Elasticity tensor (kBar)¹

10420.0662	426.1362	949.3325	-0.0000	-0.0000	89.4552
426.1362	11111.9111	984.5747	0.0000	0.0000	27.5282
949.3325	984.5747	11004.9830	0.0000	-0.0000	-367.6909
-0.0000	0.0000	0.0000	4105.1096	-87.3419	0.0000
-0.0000	0.0000	-0.0000	-87.3419	5181.5053	0.0000
89.4552	27.5282	-367.6909	0.0000	0.0000	4523.8429

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.

Click here for more details

© 2016 – 2025 SCTMS

Team References support@sacada.info Cite this: Angew. Chem. Int. Ed. 2016, 55, 10962–10976