LiPb2Y
LiPb2Y is a semimetallic ternary compound of lithium, lead, and yttrium that exhibits structural complexity despite its thermodynamic instability.
About LiPb2Y
LiPb2Y is a complex ternary compound composed of lithium, lead, and yttrium. Exhibiting a near-zero-gap electronic character, this material functions as a semimetal, placing it in a unique position between metallic and semiconducting behaviors.
Because this compound sits above the thermodynamic hull, it is considered likely unstable under standard conditions. Despite this, its structural diversity is evidenced by multiple reported entries across various crystallographic databases, reflecting significant interest in its atomic configuration.
Key Properties
Cross-validated computational properties for LiPb2Y, aggregated across 4 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 LiPb2Y, 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 | 0.02 | 1.8754 | -2.467 | 0.60 |
| R-3m (No. 166) | — | — | — | — | — |
| — | — | — | — | — | — |
| — | — | — | — | — | 7.30 |
| — | — | — | — | — | 7.83 |
Frequently Asked Questions
Common questions about LiPb2Y, answered from cross-validated data.
What is LiPb2Y?
LiPb2Y is a semimetallic ternary compound of lithium, lead, and yttrium that exhibits structural complexity despite its thermodynamic instability.
What is the band gap of LiPb2Y?
Is LiPb2Y a metal, semiconductor, or insulator?
Is LiPb2Y thermodynamically stable?
What is the crystal structure of LiPb2Y?
What is the density of LiPb2Y?
How many polymorphs of LiPb2Y are known?
What elements does LiPb2Y contain?
Where does the data for LiPb2Y come from?
How It Compares
As a unique ternary phase, LiPb2Y represents a specialized area of study within intermetallic systems, serving as an example of how lithium, heavy lead, and rare-earth yttrium can be arranged into distinct, albeit metastable, structural frameworks.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- alexandria — Data from alexandria.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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