Al1Hg1Y2
This is an intermetallic compound composed of aluminum, mercury, and yttrium. It is primarily studied in materials science research for its structural and electronic properties within the field of rare-earth metal alloys.
AlHgY
Overview
Key Properties
Cross-validated computational properties for Al1Hg1Y2, aggregated across 2 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
0.15 eV
Range across DFT structures
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
2.532 eV/atom
Best (lowest) across sources
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
Above hull
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
26
2 databases, 15 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Al1Hg1Y2, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| Immm (No. 71) | orthorhombic | 0.15 | 2.5318 | -22.177 | 0.51 |
| P4/mmm (No. 123) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| Cmm2 (No. 35) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Uses
Applications
Where Al1Hg1Y2 is used.
Materials science researchSolid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about Al1Hg1Y2, answered from cross-validated data.
What is Al1Hg1Y2?
This is an intermetallic compound composed of aluminum, mercury, and yttrium. It is primarily studied in materials science research for its structural and electronic properties within the field of rare-earth metal alloys.
More questions
What is Al1Hg1Y2 used for?
Al1Hg1Y2 is used in materials science research and solid-state chemistry studies.
What is the band gap of Al1Hg1Y2?
Al1Hg1Y2 has a DFT-computed band gap of 0.15 eV across 26 reported structures.
Is Al1Hg1Y2 a metal, semiconductor, or insulator?
With a band gap up to 0.15 eV it is a semiconductor.
Is Al1Hg1Y2 thermodynamically stable?
Al1Hg1Y2 has a lowest energy above hull of 2.532 eV/atom (above hull).
What is the crystal structure of Al1Hg1Y2?
The lowest-energy reported polymorph of Al1Hg1Y2 is orthorhombic symmetry, space group Immm (No. 71).
What is the density of Al1Hg1Y2?
The computed density of the ground-state structure of Al1Hg1Y2 is 0.51 g/cm³.
How many polymorphs of Al1Hg1Y2 are known?
26 structures of Al1Hg1Y2 are reported across 2 databases, spanning 15 distinct space groups.
What elements does Al1Hg1Y2 contain?
Al1Hg1Y2 contains Al, Hg, and Y (3 elements).
Where does the data for Al1Hg1Y2 come from?
Al1Hg1Y2 data is cross-referenced from materials_project, aflow.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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