SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 1265
            [topology] => 4<sup>12</sup>T4
            [link_rcsr] => 
            [in_col] => 12
            [transitivity] => [(12)(20)(19)(11)]
            [space_group] => P2/m
            [pearson] => mP24
            [cn] => 4
            [Year] => 2012
            [cn_sort] => 004-
            [topology_str] => 4<sup>12</sup>T4
            [sp_atoms] => 
            [caid] => 329
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.483
            [e_gap] => 
            [energy] => 0.628
            [bulk_mod] => 417.5
            [shear_mod] => 484.7
            [vicker_hard] => 91.5
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1266
            [topology] => 4<sup>12</sup>T4
            [link_rcsr] => 
            [in_col] => 12
            [transitivity] => [(12)(20)(19)(11)]
            [space_group] => P2/m
            [pearson] => mP24
            [cn] => 4
            [Year] => 2012
            [cn_sort] => 004-
            [topology_str] => 4<sup>12</sup>T4
            [sp_atoms] => 
            [caid] => 329
            [nn] => 1
            [name] => S-S1Z4
            [pressure] => 3.8
            [density] => 
            [e_gap] => 
            [energy] => 
            [bulk_mod] => 
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2012_PhysRevLet_108_135501
            [publ_year] => 2012
            [ref] => 
        )

    [2] => Array
        (
            [id] => 1267
            [topology] => 4<sup>12</sup>T4
            [link_rcsr] => 
            [in_col] => 12
            [transitivity] => [(12)(20)(19)(11)]
            [space_group] => P2/m
            [pearson] => mP24
            [cn] => 4
            [Year] => 2012
            [cn_sort] => 004-
            [topology_str] => 4<sup>12</sup>T4
            [sp_atoms] => 
            [caid] => 329
            [nn] => 2
            [name] => S-S1Z4
            [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: 329

Topology: 4¹²T4

# of independent nodes (IN): 12
Transitivity: [(12)(20)(19)(11)]
Space Group: P2/m
Pearson: mP24
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
4¹²T4 (SACADA #329)		3.483		0.628	417.5	484.7	91.5	SACADA¹
S-S1Z4	3.8							doi: 10.1103/PhysRevLett.108.135501
S-S1Z4								doi: 10.1103/PhysRevB.93.085201

Elasticity tensor (kBar)¹

10293.6943	1171.4171	1244.0237	-0.0000	0.0000	107.0001
1171.4171	11198.6510	295.0383	-0.0000	0.0000	-98.1182
1244.0237	295.0383	10669.7422	-0.0000	-0.0000	-65.8786
-0.0000	-0.0000	-0.0000	5289.1245	-127.0984	-0.0000
0.0000	0.0000	-0.0000	-127.0984	4262.5507	-0.0000
107.0001	-98.1182	-65.8786	-0.0000	-0.0000	4962.4982

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