Pb1Y2Zn1
Pb1Y2Zn1 is a semiconducting intermetallic compound containing lead, yttrium, and zinc that is typically found in an unstable thermodynamic state.
About Pb1Y2Zn1
Pb1Y2Zn1 is a ternary intermetallic compound composed of lead, yttrium, and zinc. It exhibits semiconducting electronic behavior, which distinguishes it from purely metallic alloys and makes it a subject of interest for fundamental solid-state studies.
Due to its position above the thermodynamic hull, this phase is considered likely unstable under standard conditions. Despite this, the compound has been identified across multiple structural configurations, highlighting the complex phase space of lead-yttrium-zinc systems.
Key Properties
Cross-validated computational properties for Pb1Y2Zn1, 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 Pb1Y2Zn1, 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 | 0.19 | 2.4179 | -24.666 | 0.51 |
| C2/m (No. 12) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Pb1Y2Zn1, answered from cross-validated data.
What is Pb1Y2Zn1?
Pb1Y2Zn1 is a semiconducting intermetallic compound containing lead, yttrium, and zinc that is typically found in an unstable thermodynamic state.
What is the band gap of Pb1Y2Zn1?
Is Pb1Y2Zn1 a metal, semiconductor, or insulator?
Is Pb1Y2Zn1 thermodynamically stable?
What is the crystal structure of Pb1Y2Zn1?
What is the density of Pb1Y2Zn1?
How many polymorphs of Pb1Y2Zn1 are known?
What elements does Pb1Y2Zn1 contain?
Where does the data for Pb1Y2Zn1 come from?
How It Compares
As a unique ternary phase, Pb1Y2Zn1 serves as a specialized example of how lead, yttrium, and zinc can organize into semiconducting lattices, providing a data point for researchers mapping the stability limits of complex intermetallic compounds.
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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