As2Os
As2Os is a stable, semiconducting binary compound composed of arsenic and osmium.
About As2Os
As2Os is a distinct binary compound formed from arsenic and osmium. It exists as a thermodynamically stable phase on the convex hull, indicating a robust structural arrangement that persists under standard conditions.
As a semiconducting material, this compound occupies a unique niche in solid-state chemistry. Its electronic character makes it a subject of interest for researchers investigating the interplay between transition metals and pnictogens in high-performance electronic applications.
Key Properties
Cross-validated computational properties for As2Os, aggregated across 5 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 As2Os. 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 As2Os, 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. |
|---|---|---|---|---|---|
| — | — | 0.79 | 0.0000 | -0.221 | — |
| Pnnm (No. 58) | orthorhombic | 0.66 | 0.0000 | -27.771 | 11.03 |
| Pnnm (No. 58) | orthorhombic | 0.61 | 0.0000 | -0.192 | — |
| — | — | 0.00 | 0.3843 | 0.163 | — |
| — | — | 0.38 | 0.7743 | 0.553 | — |
| — | — | 0.00 | 1.5942 | 1.373 | — |
| P1 (No. 1) | triclinic | — | — | — | 7.72 |
| P1 (No. 1) | triclinic | — | — | — | 11.33 |
| P1 (No. 1) | triclinic | — | — | — | 7.83 |
| P1 (No. 1) | triclinic | — | — | — | 9.52 |
| P1 (No. 1) | triclinic | — | — | — | 10.39 |
| P1 (No. 1) | triclinic | — | — | — | 7.37 |
Applications
Where As2Os is used.
Frequently Asked Questions
Common questions about As2Os, answered from cross-validated data.
What is As2Os?
As2Os is a stable, semiconducting binary compound composed of arsenic and osmium.
What is As2Os used for?
What is the band gap of As2Os?
Is As2Os a metal, semiconductor, or insulator?
Is As2Os thermodynamically stable?
What is the crystal structure of As2Os?
What is the density of As2Os?
How many polymorphs of As2Os are known?
What elements does As2Os contain?
Where does the data for As2Os come from?
How It Compares
As a singular entry within its current classification, As2Os represents a foundational example of osmium-based arsenides. Its position on the convex hull distinguishes it as a reliable, stable reference point for future studies into the electronic behavior of similar metal-pnictide systems.
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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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