Sb2Os
Sb2Os is a stable, semiconducting inorganic compound formed from the combination of antimony and osmium.
About Sb2Os
Sb2Os is a thermodynamically stable binary compound composed of antimony and osmium. As a semiconducting material, it occupies a unique position in inorganic chemistry, characterized by a robust structural framework that sits directly on the convex hull of stability.
Its significance is underscored by the high volume of structural data available across multiple databases, reflecting its interest to researchers studying complex intermetallic phases. This compound serves as a critical subject for understanding the electronic interactions between transition metals and pnictogens.
Key Properties
Cross-validated computational properties for Sb2Os, 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 Sb2Os. 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 Sb2Os, 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. |
|---|---|---|---|---|---|
| — | — | 0.58 | 0.0000 | -0.022 | — |
| Pnnm (No. 58) | orthorhombic | 0.34 | 0.0000 | -34.883 | 11.07 |
| Pnnm (No. 58) | orthorhombic | 0.44 | 0.0049 | 0.005 | — |
| — | — | 0.00 | 0.2915 | 0.269 | — |
| — | — | 0.00 | 0.3894 | 0.367 | — |
| — | — | 0.94 | 0.7634 | 0.741 | — |
| — | — | 0.00 | 1.8201 | 1.798 | — |
| P-1 (No. 2) | triclinic | — | — | — | 15.62 |
| P1 (No. 1) | triclinic | — | — | — | 9.17 |
| P1 (No. 1) | triclinic | — | — | — | 7.91 |
| P1 (No. 1) | triclinic | — | — | — | 6.52 |
| P1 (No. 1) | triclinic | — | — | — | 12.10 |
Applications
Where Sb2Os is used.
Frequently Asked Questions
Common questions about Sb2Os, answered from cross-validated data.
What is Sb2Os?
Sb2Os is a stable, semiconducting inorganic compound formed from the combination of antimony and osmium.
What is Sb2Os used for?
What is the band gap of Sb2Os?
Is Sb2Os a metal, semiconductor, or insulator?
Is Sb2Os thermodynamically stable?
What is the crystal structure of Sb2Os?
What is the density of Sb2Os?
How many polymorphs of Sb2Os are known?
What elements does Sb2Os contain?
Where does the data for Sb2Os come from?
How It Compares
As a distinct binary phase, Sb2Os represents a specialized structural archetype within the broader landscape of osmium-antimony compounds, serving as a foundational example of stability in this chemical system.
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.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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