La2P2Zn2
La2P2Zn2 is a stable, semiconducting ternary compound containing lanthanum, phosphorus, and zinc.
About La2P2Zn2
La2P2Zn2 is a complex ternary compound composed of lanthanum, phosphorus, and zinc. As a thermodynamically stable material situated on the convex hull, it represents a robust structural arrangement that has garnered interest across multiple crystallographic databases.
Characterized as a semiconductor, this material holds potential for specialized electronic applications. Its existence across several reported structures highlights its significance as a subject of ongoing study in solid-state chemistry and materials science.
Key Properties
Cross-validated computational properties for La2P2Zn2, 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.
Reported Structures
Lowest-energy structures reported for La2P2Zn2, 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. |
|---|---|---|---|---|---|
| P63/mmc (No. 194) | hexagonal | 0.24 | 0.0000 | -12.664 | 6.36 |
| — | — | — | — | — | 5.87 |
| — | — | — | — | — | 4.82 |
| P63/mmc (No. 194) | — | — | — | — | — |
| P63/mmc (No. 194) | — | — | — | — | — |
| P63/mmc (No. 194) | — | — | — | — | — |
Applications
Where La2P2Zn2 is used.
Frequently Asked Questions
Common questions about La2P2Zn2, answered from cross-validated data.
What is La2P2Zn2?
La2P2Zn2 is a stable, semiconducting ternary compound containing lanthanum, phosphorus, and zinc.
What is La2P2Zn2 used for?
What is the band gap of La2P2Zn2?
Is La2P2Zn2 a metal, semiconductor, or insulator?
Is La2P2Zn2 thermodynamically stable?
What is the crystal structure of La2P2Zn2?
What is the density of La2P2Zn2?
How many polymorphs of La2P2Zn2 are known?
What elements does La2P2Zn2 contain?
Where does the data for La2P2Zn2 come from?
How It Compares
As a unique ternary phase, La2P2Zn2 serves as a foundational example of lanthanum-based pnictide-zinc systems, demonstrating the structural versatility possible when combining rare-earth elements with transition metals and pnictogens.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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