LiPZn
LiPZn is a thermodynamically stable semiconducting ternary compound composed of lithium, phosphorus, and zinc.
About LiPZn
LiPZn is a ternary compound composed of lithium, phosphorus, and zinc. As a thermodynamically stable material located on the convex hull, it represents a robust phase within its chemical system, offering a reliable structural foundation for further investigation.
This material exhibits semiconducting electronic character, positioning it as a candidate for specialized electronic and optoelectronic applications. Its existence across multiple reported structures highlights a complex structural landscape that warrants continued study in materials science.
Key Properties
Cross-validated computational properties for LiPZn, aggregated across 3 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of LiPZn. Tight agreement means computed properties can be trusted without re-running calculations.
Only 1 independent DFT source (materials_project) reports a hull energy for LiPZn, so cross-source agreement can't be assessed yet.
Reported Structures
Lowest-energy structures reported for LiPZn, 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. |
|---|---|---|---|---|---|
| F-43m (No. 216) | cubic | 1.34 | 0.0000 | -7.422 | 3.70 |
| F-43m (No. 216) | cubic | 0.00 | 0.1325 | -7.290 | 3.64 |
| F-43m (No. 216) | cubic | 0.00 | 0.4463 | -6.976 | 3.80 |
| F-43m (No. 216) | cubic | — | — | — | 3.55 |
| — | — | — | — | — | 3.73 |
Applications
Where LiPZn is used.
Frequently Asked Questions
Common questions about LiPZn, answered from cross-validated data.
What is LiPZn?
LiPZn is a thermodynamically stable semiconducting ternary compound composed of lithium, phosphorus, and zinc.
What is LiPZn used for?
What is the band gap of LiPZn?
Is LiPZn a metal, semiconductor, or insulator?
Is LiPZn thermodynamically stable?
What is the crystal structure of LiPZn?
What is the density of LiPZn?
How many polymorphs of LiPZn are known?
What elements does LiPZn contain?
Where does the data for LiPZn come from?
How It Compares
As a unique ternary phase, LiPZn serves as a distinct representative of lithium-phosphorus-zinc chemistry, providing a stable platform for exploring semiconducting behavior in multi-element systems.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- omat24 — Data from Meta Open Materials 2024 (OMat24), Meta FAIR. Cite: Barroso-Luque et al., arXiv:2410.12771 (2024). (CC-BY-4.0)
Analyze LiPZn in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →