Array ( [0] => Array ( [id] => 16 [topology] => dia [link_rcsr] => [in_col] => 1 [transitivity] => [1111] [space_group] => Fd-3m [pearson] => cF40 [cn] => 2, 4 (4:1) [Year] => 1992 [cn_sort] => 002-004-004-001- [topology_str] => dia [sp_atoms] => + [caid] => 3 [nn] => 0 [name] => [pressure] => [density] => .899 [e_gap] => [energy] => 1.778 [bulk_mod] => 83.7 [shear_mod] => 4.7 [vicker_hard] => 0.8 [ref_file] => [publ_year] => [ref] => ) [1] => Array ( [id] => 17 [topology] => dia [link_rcsr] => [in_col] => 1 [transitivity] => [1111] [space_group] => Fd-3m [pearson] => cF40 [cn] => 2, 4 (4:1) [Year] => 1992 [cn_sort] => 002-004-004-001- [topology_str] => dia [sp_atoms] => + [caid] => 3 [nn] => 1 [name] => [pressure] => [density] => [e_gap] => [energy] => [bulk_mod] => [shear_mod] => [vicker_hard] => [ref_file] => /References/1992_AngewChem_31_1101 [publ_year] => 1992 [ref] => ) [2] => Array ( [id] => 18 [topology] => dia [link_rcsr] => [in_col] => 1 [transitivity] => [1111] [space_group] => Fd-3m [pearson] => cF40 [cn] => 2, 4 (4:1) [Year] => 1992 [cn_sort] => 002-004-004-001- [topology_str] => dia [sp_atoms] => + [caid] => 3 [nn] => 2 [name] => superdiamond [pressure] => [density] => [e_gap] => [energy] => [bulk_mod] => [shear_mod] => [vicker_hard] => [ref_file] => /References/1995_MatSciencForum_191_1_12 [publ_year] => 1995 [ref] => ) [3] => Array ( [id] => 19 [topology] => dia [link_rcsr] => [in_col] => 1 [transitivity] => [1111] [space_group] => Fd-3m [pearson] => cF40 [cn] => 2, 4 (4:1) [Year] => 1992 [cn_sort] => 002-004-004-001- [topology_str] => dia [sp_atoms] => + [caid] => 3 [nn] => 3 [name] => [pressure] => [density] => [e_gap] => [energy] => [bulk_mod] => [shear_mod] => [vicker_hard] => [ref_file] => /References/2007_ChemSocRev_36_1632 [publ_year] => 2007 [ref] => ) [4] => Array ( [id] => 20 [topology] => dia [link_rcsr] => [in_col] => 1 [transitivity] => [1111] [space_group] => Fd-3m [pearson] => cF40 [cn] => 2, 4 (4:1) [Year] => 1992 [cn_sort] => 002-004-004-001- [topology_str] => dia [sp_atoms] => + [caid] => 3 [nn] => 4 [name] => sp-sp3-yne-diamond [pressure] => [density] => [e_gap] => [energy] => [bulk_mod] => [shear_mod] => [vicker_hard] => [ref_file] => /References/2010_NaturMat9_868_Hirsch [publ_year] => 2010 [ref] => ) [5] => Array ( [id] => 21 [topology] => dia [link_rcsr] => [in_col] => 1 [transitivity] => [1111] [space_group] => Fd-3m [pearson] => cF40 [cn] => 2, 4 (4:1) [Year] => 1992 [cn_sort] => 002-004-004-001- [topology_str] => dia [sp_atoms] => + [caid] => 3 [nn] => 5 [name] => [pressure] => [density] => [e_gap] => [energy] => [bulk_mod] => [shear_mod] => [vicker_hard] => [ref_file] => /References/2012_PhysRev_B_86_075151 [publ_year] => 2012 [ref] => ) [6] => Array ( [id] => 22 [topology] => dia [link_rcsr] => [in_col] => 1 [transitivity] => [1111] [space_group] => Fd-3m [pearson] => cF40 [cn] => 2, 4 (4:1) [Year] => 1992 [cn_sort] => 002-004-004-001- [topology_str] => dia [sp_atoms] => + [caid] => 3 [nn] => 6 [name] => Y-carbon [pressure] => [density] => 0.894 [e_gap] => 4.662 [energy] => [bulk_mod] => 82.9 [shear_mod] => [vicker_hard] => [ref_file] => /References/2012_PhysRev_B_86_075151 [publ_year] => 2012 [ref] => ) [7] => Array ( [id] => 23 [topology] => dia [link_rcsr] => [in_col] => 1 [transitivity] => [1111] [space_group] => Fd-3m [pearson] => cF40 [cn] => 2, 4 (4:1) [Year] => 1992 [cn_sort] => 002-004-004-001- [topology_str] => dia [sp_atoms] => + [caid] => 3 [nn] => 7 [name] => yne-diamond [pressure] => [density] => [e_gap] => 4.850 [energy] => [bulk_mod] => 86.9 [shear_mod] => 14.8 [vicker_hard] => 3.29 [ref_file] => /References/2012_EPL_100_56003 [publ_year] => 2012 [ref] => ) [8] => Array ( [id] => 24 [topology] => dia [link_rcsr] => [in_col] => 1 [transitivity] => [1111] [space_group] => Fd-3m [pearson] => cF40 [cn] => 2, 4 (4:1) [Year] => 1992 [cn_sort] => 002-004-004-001- [topology_str] => dia [sp_atoms] => + [caid] => 3 [nn] => 8 [name] => D-carbon [pressure] => [density] => [e_gap] => 4.8 [energy] => [bulk_mod] => 91.7 [shear_mod] => 18.59 [vicker_hard] => [ref_file] => /References/2013_JMatChem_A_1_3851 [publ_year] => 2013 [ref] => ) [9] => Array ( [id] => 25 [topology] => dia [link_rcsr] => [in_col] => 1 [transitivity] => [1111] [space_group] => Fd-3m [pearson] => cF40 [cn] => 2, 4 (4:1) [Year] => 1992 [cn_sort] => 002-004-004-001- [topology_str] => dia [sp_atoms] => + [caid] => 3 [nn] => 9 [name] => Y-carbon [pressure] => [density] => 0.891 [e_gap] => [energy] => [bulk_mod] => 83.5 [shear_mod] => 10.9 [vicker_hard] => 1.1 [ref_file] => /References/pnas.201311028SI [publ_year] => [ref] => ) [10] => Array ( [id] => 26 [topology] => dia [link_rcsr] => [in_col] => 1 [transitivity] => [1111] [space_group] => Fd-3m [pearson] => cF40 [cn] => 2, 4 (4:1) [Year] => 1992 [cn_sort] => 002-004-004-001- [topology_str] => dia [sp_atoms] => + [caid] => 3 [nn] => 10 [name] => Y-carbon [pressure] => [density] => [e_gap] => [energy] => [bulk_mod] => 84.6 [shear_mod] => [vicker_hard] => [ref_file] => /References/2014_DiamRelMat_15_yne_dia [publ_year] => 2014 [ref] => ) [11] => Array ( [id] => 27 [topology] => dia [link_rcsr] => [in_col] => 1 [transitivity] => [1111] [space_group] => Fd-3m [pearson] => cF40 [cn] => 2, 4 (4:1) [Year] => 1992 [cn_sort] => 002-004-004-001- [topology_str] => dia [sp_atoms] => + [caid] => 3 [nn] => 11 [name] => Y-carbon [pressure] => [density] => 0.89 [e_gap] => [energy] => [bulk_mod] => 84.4 [shear_mod] => 13.7 [vicker_hard] => [ref_file] => /References/2014_RSC_Adv_17364_dia_a_2fold [publ_year] => 2014 [ref] => ) )
SACADA Database Code: 3 Topology: dia (Allotrope with "sp" atoms) # of independent nodes (IN): 1 Transitivity: [1111] Space Group: Fd-3m Pearson: cF40 Coordination Number (CN): 2, 4 (4:1) Year: 1992 Download CIF File Download PDF report |
|
Name |
Pressure, GPa |
Density, g/cm³ |
Gap, eV |
Relative energy, eV/atom |
Bulk, GPa |
Shear, GPa |
Vickers, GPa |
Refs |
---|---|---|---|---|---|---|---|---|
dia (SACADA #3) | .899 | 1.778 | 83.7 | 4.7 | 0.8 | SACADA¹ | ||
doi: 10.1002/anie.199211013 | ||||||||
superdiamond | doi: 10.4028/www.scientific.net/MSF.191.1 | |||||||
doi: 10.1039/B702109G | ||||||||
sp-sp3-yne-diamond | doi: 10.1038/nmat2885 | |||||||
doi: 10.1103/PhysRevB.86.075151 | ||||||||
Y-carbon | 0.894 | 4.662 | 82.9 | doi: 10.1103/PhysRevB.86.075151 | ||||
yne-diamond | 4.850 | 86.9 | 14.8 | 3.29 | doi: 10.1209/0295-5075/100/56003 | |||
D-carbon | 4.8 | 91.7 | 18.59 | doi: 10.1039/C3TA10292K | ||||
Y-carbon | 0.891 | 83.5 | 10.9 | 1.1 | doi: 10.1073/pnas.1311028110 | |||
Y-carbon | 84.6 | doi: 10.1016/j.diamond.2014.04.005 | ||||||
Y-carbon | 0.89 | 84.4 | 13.7 | doi: 10.1039/C4RA01962H |
908.6885 | 800.8440 | 800.8440 | -0.0000 | 0.0000 | 0.0000 |
800.8440 | 908.6885 | 800.8440 | -0.0000 | -0.0000 | 0.0000 |
800.8440 | 800.8440 | 908.6885 | -0.0000 | 0.0000 | 0.0000 |
0.0000 | -0.0000 | 0.0000 | 43.3260 | 0.0000 | 0.0000 |
0.0000 | -0.0000 | 0.0000 | 0.0000 | 43.3260 | -0.0000 |
0.0000 | 0.0000 | 0.0000 | 0.0000 | -0.0000 | 43.3260 |