Hg1Pb1Y2
Hg1Pb1Y2 is a semiconducting ternary compound consisting of mercury, lead, and yttrium that is currently considered thermodynamically unstable.
About Hg1Pb1Y2
Hg1Pb1Y2 is a complex ternary compound composed of mercury, lead, and yttrium. As a semiconducting material, it exhibits electronic properties that differentiate it from simple metallic alloys, positioning it as a subject of interest for fundamental solid-state research.
While the compound has been identified across multiple structural configurations, it is characterized by a thermodynamic state that sits above the hull. This suggests that the material may be metastable or difficult to synthesize in a pure, bulk form under standard conditions.
Key Properties
Cross-validated computational properties for Hg1Pb1Y2, 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.
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.
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.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for Hg1Pb1Y2, 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 | 0.20 | 2.2047 | -34.997 | 0.68 |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Hg1Pb1Y2, answered from cross-validated data.
What is Hg1Pb1Y2?
Hg1Pb1Y2 is a semiconducting ternary compound consisting of mercury, lead, and yttrium that is currently considered thermodynamically unstable.
What is the band gap of Hg1Pb1Y2?
Is Hg1Pb1Y2 a metal, semiconductor, or insulator?
Is Hg1Pb1Y2 thermodynamically stable?
What is the crystal structure of Hg1Pb1Y2?
What is the density of Hg1Pb1Y2?
How many polymorphs of Hg1Pb1Y2 are known?
What elements does Hg1Pb1Y2 contain?
Where does the data for Hg1Pb1Y2 come from?
How It Compares
As a unique ternary phase, Hg1Pb1Y2 represents an exploratory composition within the broader landscape of mercury-lead-yttrium intermetallics. Without direct structural siblings in this specific class, it serves as a distinct case study for how heavy post-transition metals and rare-earth elements can be combined to tune electronic behavior.
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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