P4Y4Zn4
P4Y4Zn4 is a stable, semiconducting inorganic compound containing phosphorus, yttrium, and zinc.
About P4Y4Zn4
P4Y4Zn4 is a complex inorganic compound composed of phosphorus, yttrium, and zinc. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement within its chemical system.
This material exhibits semiconducting electronic characteristics, making it an intriguing candidate for specialized electronic and optoelectronic research. With multiple reported structures across databases, it is a subject of ongoing investigation for its potential functional properties.
Key Properties
Cross-validated computational properties for P4Y4Zn4, 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 P4Y4Zn4, 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 | 0.23 | 0.0000 | -11.310 | 5.31 |
| — | — | — | — | — | 4.07 |
| Pnma (No. 62) | — | — | — | — | — |
| P63/mmc (No. 194) | — | — | — | — | — |
| P63/mmc (No. 194) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
Applications
Where P4Y4Zn4 is used.
Frequently Asked Questions
Common questions about P4Y4Zn4, answered from cross-validated data.
What is P4Y4Zn4?
P4Y4Zn4 is a stable, semiconducting inorganic compound containing phosphorus, yttrium, and zinc.
What is P4Y4Zn4 used for?
What is the band gap of P4Y4Zn4?
Is P4Y4Zn4 a metal, semiconductor, or insulator?
Is P4Y4Zn4 thermodynamically stable?
What is the crystal structure of P4Y4Zn4?
What is the density of P4Y4Zn4?
How many polymorphs of P4Y4Zn4 are known?
What elements does P4Y4Zn4 contain?
Where does the data for P4Y4Zn4 come from?
How It Compares
As a unique compound within this chemical space, P4Y4Zn4 serves as a foundational reference point for understanding the interplay between phosphorus, yttrium, and zinc, providing a stable benchmark for future exploration of related ternary or quaternary systems.
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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