Sb2O5
Antimony pentoxide · Antimony(V) oxide
Antimony pentoxide is a stable, semiconducting inorganic compound widely used as a flame retardant and industrial catalyst.
About Antimony pentoxide
Antimony pentoxide is a robust, thermodynamically stable inorganic oxide that functions as a semiconductor. Its structural versatility is evidenced by the extensive number of reported crystalline arrangements, making it a highly researched material in solid-state chemistry.
Due to its chemical stability and specific electronic properties, this compound is widely utilized in industrial applications requiring flame retardancy and catalytic activity. It serves as a critical component in the production of specialized polymers and high-performance chemical processes.
Key Properties
Cross-validated computational properties for Antimony pentoxide, 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 Sb2O5. 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 Sb2O5, 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. |
|---|---|---|---|---|---|
| — | — | 0.88 | 0.0000 | -1.550 | — |
| C2/c (No. 15) | monoclinic | 0.57 | 0.0000 | -1.362 | — |
| C2/c (No. 15) | monoclinic | 0.49 | 0.0000 | -6.462 | 6.68 |
| — | — | 1.59 | 0.0584 | -1.492 | — |
| P21/c (No. 14) | monoclinic | 0.99 | 0.0791 | -6.383 | 5.30 |
| — | — | 0.00 | 0.0791 | -1.471 | — |
| Cmcm (No. 63) | orthorhombic | 0.38 | 0.0853 | -6.377 | 5.61 |
| Pmmn (No. 59) | orthorhombic | 0.00 | 0.0858 | -6.376 | 5.43 |
| Cmmm (No. 65) | orthorhombic | 0.14 | 0.0903 | -6.372 | 5.67 |
| Cmcm (No. 63) | orthorhombic | 0.47 | 0.0908 | -1.272 | — |
| — | — | 1.50 | 0.1724 | -1.378 | — |
| — | — | 0.00 | 0.2075 | -1.343 | — |
Applications
Where Antimony pentoxide is used.
Frequently Asked Questions
Common questions about Antimony pentoxide, answered from cross-validated data.
What is Sb2O5?
Antimony pentoxide is a stable, semiconducting inorganic compound widely used as a flame retardant and industrial catalyst.
What is Sb2O5 used for?
What is the band gap of Sb2O5?
Is Sb2O5 a metal, semiconductor, or insulator?
Is Sb2O5 thermodynamically stable?
What is the crystal structure of Sb2O5?
What is the density of Sb2O5?
How many polymorphs of Sb2O5 are known?
What elements does Sb2O5 contain?
Where does the data for Sb2O5 come from?
How It Compares
As a prominent oxide of antimony, this compound represents a key reference point for stability and structural complexity within its chemical family, serving as a foundational material for various industrial and research-oriented applications.
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.
- 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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