Array
(
[0] => Array
(
[id] => 873
[topology] => 3<sup>2</sup>,4<sup>2</sup>T201
[link_rcsr] =>
[in_col] => 4
[transitivity] => [4454]
[space_group] => P-6m2
[pearson] => hP10
[cn] => 3, 4 (2:3)
[Year] => 2010
[cn_sort] => 003-004-002-003-
[topology_str] => 3<sup>2</sup>,4<sup>2</sup>T201
[sp_atoms] =>
[caid] => 206
[nn] => 0
[name] =>
[pressure] =>
[density] => 3.120
[e_gap] =>
[energy] => 1.234
[bulk_mod] => 368.0
[shear_mod] => 296.2
[vicker_hard] => 42.1
[ref_file] =>
[publ_year] =>
[ref] =>
)
[1] => Array
(
[id] => 874
[topology] => 3<sup>2</sup>,4<sup>2</sup>T201
[link_rcsr] =>
[in_col] => 4
[transitivity] => [4454]
[space_group] => P-6m2
[pearson] => hP10
[cn] => 3, 4 (2:3)
[Year] => 2010
[cn_sort] => 003-004-002-003-
[topology_str] => 3<sup>2</sup>,4<sup>2</sup>T201
[sp_atoms] =>
[caid] => 206
[nn] => 1
[name] => trigohexagonite
[pressure] =>
[density] => 3.178
[e_gap] => Metal
[energy] =>
[bulk_mod] =>
[shear_mod] =>
[vicker_hard] =>
[ref_file] => /References/2010_JMathChem_48_816_Trigohexagonite
[publ_year] => 2010
[ref] =>
)
)
|
SACADA Database Code: 206 Topology: 32,42T201 # of independent nodes (IN): 4 Transitivity: [4454] Space Group: P-6m2 Pearson: hP10 Coordination Number (CN): 3, 4 (2:3) Year: 2010 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 |
|---|---|---|---|---|---|---|---|---|
| 32,42T201 (SACADA #206) | 3.120 | 1.234 | 368.0 | 296.2 | 42.1 | SACADA¹ | ||
| trigohexagonite | 3.178 | Metal | doi: 10.1007/s10910-010-9713-3 |
| 9274.4599 | 1732.7111 | 962.5893 | 12.4508 | -1.0490 | 0.8813 |
| 1732.7111 | 9284.7551 | 960.6647 | 11.4866 | 2.8978 | 0.4794 |
| 962.5893 | 960.6647 | 7531.9864 | -2.0263 | 1.3077 | -0.6259 |
| 12.4508 | 11.4866 | -2.0263 | 3764.5582 | 0.2173 | 2.1223 |
| -1.0490 | 2.8978 | 1.3077 | 0.2173 | 2096.6366 | -2.8514 |
| 0.8813 | 0.4794 | -0.6259 | 2.1223 | -2.8514 | 2088.0566 |