SACADA 3D

xxx

Array
(
    [0] => Array
        (
            [id] => 1255
            [topology] => 4<sup>12</sup>T1
            [link_rcsr] => 
            [in_col] => 12
            [transitivity] => [(12)(18)(16)(10)]
            [space_group] => Pmc21
            [pearson] => oP24
            [cn] => 4
            [Year] => 2012
            [cn_sort] => 004-
            [topology_str] => 4<sup>12</sup>T1
            [sp_atoms] => 
            [caid] => 324
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.412
            [e_gap] => 
            [energy] => 0.759
            [bulk_mod] => 389.6
            [shear_mod] => 441.0
            [vicker_hard] => 82.8
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1256
            [topology] => 4<sup>12</sup>T1
            [link_rcsr] => 
            [in_col] => 12
            [transitivity] => [(12)(18)(16)(10)]
            [space_group] => Pmc21
            [pearson] => oP24
            [cn] => 4
            [Year] => 2012
            [cn_sort] => 004-
            [topology_str] => 4<sup>12</sup>T1
            [sp_atoms] => 
            [caid] => 324
            [nn] => 1
            [name] => S-S'2A2
            [pressure] => 15.4
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2012_PhysRevLet_108_135501
            [publ_year] => 2012
            [ref] => 
        )

)

SACADA Database Code: 324

Topology: 4¹²T1

# of independent nodes (IN): 12
Transitivity: [(12)(18)(16)(10)]
Space Group: Pmc21
Pearson: oP24
Coordination Number (CN): 4

Year: 2012

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Data

Name	Pressure, GPa	Density, g/cm³	Gap, eV	Relative energy, eV/atom	Bulk, GPa	Shear, GPa	Vickers, GPa	Refs
4¹²T1 (SACADA #324)		3.412		0.759	389.6	441.0	82.8	SACADA¹
S-S'2A2	15.4							doi: 10.1103/PhysRevLett.108.135501

Elasticity tensor (kBar)¹

10933.4157	980.9181	1106.6714	0.0000	-0.0000	0.0000
980.9181	11056.3256	314.6591	-0.0000	-0.0000	0.0000
1106.6714	314.6591	8565.8107	-0.0000	0.0000	-0.0000
0.0000	-0.0000	-0.0000	5103.8870	0.0000	-0.0000
-0.0000	-0.0000	0.0000	0.0000	3654.0585	0.0000
0.0000	0.0000	0.0000	-0.0000	0.0000	4128.8338

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