P16Zn24
P16Zn24 is a thermodynamically stable semiconducting binary compound composed of zinc and phosphorus.
About P16Zn24
P16Zn24 is a distinct zinc phosphide compound characterized by its semiconducting electronic nature. As a thermodynamically stable phase, it occupies a favorable position on the convex hull, indicating robust structural integrity under standard conditions.
This material is of significant interest to researchers studying complex binary phosphides. Its structural diversity, evidenced by numerous reported configurations across multiple databases, highlights its potential utility in specialized semiconductor applications where precise electronic tuning is required.
Key Properties
Cross-validated computational properties for P16Zn24, 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 P16Zn24, 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. |
|---|---|---|---|---|---|
| P42/nmc (No. 137) | tetragonal | 0.31 | 0.0000 | -9.204 | 4.69 |
| Ia-3 (No. 206) | cubic | 0.37 | 0.0238 | -9.180 | 4.70 |
| Pn-3m (No. 224) | cubic | 0.00 | 0.1829 | -9.021 | 4.59 |
| — | — | — | — | — | 4.56 |
| P42/nmc (No. 137) | — | — | — | — | — |
| P42/nmc (No. 137) | — | — | — | — | — |
| P42/nmc (No. 137) | — | — | — | — | — |
| P42/nmc (No. 137) | — | — | — | — | — |
| P42/nmc (No. 137) | — | — | — | — | — |
| Ia-3 (No. 206) | — | — | — | — | — |
| P42/nmc (No. 137) | — | — | — | — | — |
| P42/nmc (No. 137) | — | — | — | — | — |
Applications
Where P16Zn24 is used.
Frequently Asked Questions
Common questions about P16Zn24, answered from cross-validated data.
What is P16Zn24?
P16Zn24 is a thermodynamically stable semiconducting binary compound composed of zinc and phosphorus.
What is P16Zn24 used for?
What is the band gap of P16Zn24?
Is P16Zn24 a metal, semiconductor, or insulator?
Is P16Zn24 thermodynamically stable?
What is the crystal structure of P16Zn24?
What is the density of P16Zn24?
How many polymorphs of P16Zn24 are known?
What elements does P16Zn24 contain?
Where does the data for P16Zn24 come from?
How It Compares
As a unique binary phosphide, P16Zn24 serves as a foundational example of stoichiometric complexity within the zinc-phosphorus system. Unlike simpler phosphides, this compound demonstrates a highly ordered structural arrangement that distinguishes it as a stable, well-defined phase in the broader landscape of semiconducting materials.
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).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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