SACADA 3D

Array ( [0] => Array ( [id] => 1171 [topology] => 36,42T12 [link_rcsr] => [in_col] => 3 [transitivity] => [8(11)84] [space_group] => P63/mmc [pearson] => hP112 [cn] => 3, 4 (3:1) [Year] => 2008 [cn_sort] => 003-004-003-001- [topology_str] => 36,42T12 [sp_atoms] => [caid] => 289 [nn] => 0 [name] => [pressure] => [density] => 1.115 [e_gap] => [energy] => 0.631 [bulk_mod] => [shear_mod] => [vicker_hard] => [ref_file] => [publ_year] => [ref] => ) [1] => Array ( [id] => 1172 [topology] => 36,42T12 [link_rcsr] => [in_col] => 3 [transitivity] => [8(11)84] [space_group] => P63/mmc [pearson] => hP112 [cn] => 3, 4 (3:1) [Year] => 2008 [cn_sort] => 003-004-003-001- [topology_str] => 36,42T12 [sp_atoms] => [caid] => 289 [nn] => 1 [name] => HL C28 [pressure] => [density] => 1.10 [e_gap] => 1.76 [energy] => [bulk_mod] => 45.9 [shear_mod] => [vicker_hard] => [ref_file] => /References/2008_PhysRevB_77_113402 [publ_year] => 2008 [ref] => ) [2] => Array ( [id] => 1173 [topology] => 36,42T12 [link_rcsr] => [in_col] => 3 [transitivity] => [8(11)84] [space_group] => P63/mmc [pearson] => hP112 [cn] => 3, 4 (3:1) [Year] => 2008 [cn_sort] => 003-004-003-001- [topology_str] => 36,42T12 [sp_atoms] => [caid] => 289 [nn] => 2 [name] => HL C28 [pressure] => [density] => 1.10 [e_gap] => 1.80 [energy] => [bulk_mod] => 45.5 [shear_mod] => [vicker_hard] => [ref_file] => /References/2009_ChemPhysLett_473_108 [publ_year] => 2009 [ref] => ) [3] => Array ( [id] => 1174 [topology] => 36,42T12 [link_rcsr] => [in_col] => 3 [transitivity] => [8(11)84] [space_group] => P63/mmc [pearson] => hP112 [cn] => 3, 4 (3:1) [Year] => 2008 [cn_sort] => 003-004-003-001- [topology_str] => 36,42T12 [sp_atoms] => [caid] => 289 [nn] => 3 [name] => HL C28 [pressure] => [density] => [e_gap] => [energy] => [bulk_mod] => [shear_mod] => [vicker_hard] => [ref_file] => /References/2010_JSuperhardMat_32_67 [publ_year] => 2010 [ref] => ) )

SACADA Database Code: 289

Topology: 3⁶,4²T12

# of independent nodes (IN): 3
Transitivity: [8(11)84]
Space Group: P63/mmc
Pearson: hP112
Coordination Number (CN): 3, 4 (3:1)

Year: 2008

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Data

Name	Density, g/cm³	Gap, eV	Relative energy, eV/atom	Bulk, GPa	Refs
3⁶,4²T12 (SACADA #289)	1.115		0.631		SACADA¹
HL C28	1.10	1.76		45.9	doi: 10.1103/PhysRevB.77.113402
HL C28	1.10	1.80		45.5	doi: 10.1016/j.cplett.2009.03.033
HL C28					doi: 10.3103/s1063457610020012

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

Name

Pressure, GPa

Density, g/cm³

Gap, eV

Relative energy, eV/atom

Bulk, GPa

Shear, GPa

Vickers, GPa

Refs