Al2Os
Al2Os is a thermodynamically stable semiconducting intermetallic compound formed from aluminum and osmium.
About Al2Os
Al2Os is a distinct intermetallic compound composed of aluminum and osmium. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement of these elements that is well-represented across multiple materials databases.
This material exhibits semiconducting electronic character, positioning it as an intriguing candidate for specialized electronic or optoelectronic applications. Its stability and well-characterized structural profile make it a significant subject for researchers investigating transition metal aluminides.
Key Properties
Cross-validated computational properties for Al2Os, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Al2Os. 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 Al2Os, 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. |
|---|---|---|---|---|---|
| — | — | 0.42 | 0.0000 | -0.562 | — |
| I4/mmm (No. 139) | tetragonal | 0.37 | 0.0000 | -0.583 | — |
| I4/mmm (No. 139) | tetragonal | 0.29 | 0.0000 | -22.820 | 9.81 |
| — | — | 0.00 | 0.3616 | -0.200 | — |
| — | — | 0.00 | 0.6140 | 0.052 | — |
| — | — | 0.00 | 0.7625 | 0.201 | — |
| — | — | 0.00 | 1.8235 | 1.262 | — |
| P1 (No. 1) | triclinic | — | — | — | 5.99 |
| P1 (No. 1) | triclinic | — | — | — | 5.45 |
| P1 (No. 1) | triclinic | — | — | — | 6.22 |
| P1 (No. 1) | triclinic | — | — | — | 5.20 |
| P1 (No. 1) | triclinic | — | — | — | 5.84 |
Applications
Where Al2Os is used.
Frequently Asked Questions
Common questions about Al2Os, answered from cross-validated data.
What is Al2Os?
Al2Os is a thermodynamically stable semiconducting intermetallic compound formed from aluminum and osmium.
What is Al2Os used for?
What is the band gap of Al2Os?
Is Al2Os a metal, semiconductor, or insulator?
Is Al2Os thermodynamically stable?
What is the crystal structure of Al2Os?
How many polymorphs of Al2Os are known?
What elements does Al2Os contain?
Where does the data for Al2Os come from?
How It Compares
As a unique intermetallic phase, Al2Os serves as a foundational example of aluminum-osmium bonding within the broader landscape of binary intermetallics, demonstrating the specific structural stability achievable when combining these particular elements.
Data sources & attribution
- 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)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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