P4Os
P4Os is a thermodynamically stable semiconducting compound formed from phosphorus and osmium.
About P4Os
P4Os is a distinct binary compound composed of phosphorus and osmium. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement within its chemical system, supported by a significant body of reported structural data.
This material exhibits semiconducting electronic characteristics, making it an intriguing candidate for specialized electronic and optoelectronic research. Its stability and unique composition suggest potential utility in applications requiring precise control over electronic properties.
Key Properties
Cross-validated computational properties for P4Os, 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 P4Os. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for P4Os, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 1.36 | 0.0000 | -0.387 | — |
| P-1 (No. 2) | triclinic | 1.30 | 0.0000 | -18.260 | 6.68 |
| P21/c (No. 14) | monoclinic | 0.73 | 0.0136 | -0.374 | — |
| P21/c (No. 14) | monoclinic | 0.67 | 0.0170 | -18.243 | 6.74 |
| — | — | 0.00 | 0.1698 | -0.244 | — |
| C2 (No. 5) | monoclinic | — | — | — | 5.50 |
| P-1 (No. 2) | triclinic | — | — | — | 6.85 |
| Cm (No. 8) | monoclinic | — | — | — | 9.05 |
| Cm (No. 8) | monoclinic | — | — | — | 7.20 |
| Pm (No. 6) | monoclinic | — | — | — | 6.90 |
| Cmmm (No. 65) | orthorhombic | — | — | — | 6.89 |
| P-1 (No. 2) | triclinic | — | — | — | 7.37 |
Applications
Where P4Os is used.
Frequently Asked Questions
Common questions about P4Os, answered from cross-validated data.
What is P4Os?
P4Os is a thermodynamically stable semiconducting compound formed from phosphorus and osmium.
What is P4Os used for?
What is the band gap of P4Os?
Is P4Os a metal, semiconductor, or insulator?
Is P4Os thermodynamically stable?
What is the crystal structure of P4Os?
How many polymorphs of P4Os are known?
What elements does P4Os contain?
Where does the data for P4Os come from?
How It Compares
As a unique binary phosphide, P4Os serves as a foundational reference point for understanding the interaction between transition metals and phosphorus in this specific stoichiometry, representing a stable endpoint in its chemical space.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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