SrO2
Strontium peroxide · Strontium dioxide
Strontium peroxide is a stable, semiconducting inorganic compound primarily used as an oxidizing agent and in pyrotechnic formulations.
About Strontium peroxide
Strontium peroxide is a thermodynamically stable inorganic compound that exists as a solid peroxide. Its electronic character is defined by semiconducting behavior, making it a unique member of the alkaline earth metal peroxide family.
This material is highly valued for its ability to release oxygen under specific conditions and its role in specialized chemical reactions. It is widely utilized in industrial applications where controlled oxidation or specific flame coloration is required.
Key Properties
Cross-validated computational properties for Strontium peroxide, 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 SrO2. 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 SrO2, 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. |
|---|---|---|---|---|---|
| — | — | 3.00 | 0.0000 | -2.204 | — |
| I4/mmm (No. 139) | tetragonal | 2.89 | 0.0000 | -6.067 | 4.73 |
| Pnma (No. 62) | orthorhombic | 1.97 | 0.0000 | -2.157 | — |
| Pnma (No. 62) | orthorhombic | 2.81 | 0.0096 | -6.058 | 3.99 |
| Pnma (No. 62) | orthorhombic | 2.98 | 0.0104 | -6.057 | 4.36 |
| Pnma (No. 62) | orthorhombic | 2.72 | 0.0110 | -6.056 | 4.36 |
| I4/mmm (No. 139) | tetragonal | 3.10 | 0.0183 | -2.139 | — |
| — | — | 3.15 | 0.0449 | -2.159 | — |
| — | — | 3.35 | 0.0954 | -2.109 | — |
| — | — | 0.00 | 0.7636 | -1.441 | — |
| — | — | 0.00 | 1.2833 | -0.921 | — |
| — | — | 5.23 | 1.3694 | -0.835 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting SrO2.
Applications
Where Strontium peroxide is used.
Frequently Asked Questions
Common questions about Strontium peroxide, answered from cross-validated data.
What is SrO2?
Strontium peroxide is a stable, semiconducting inorganic compound primarily used as an oxidizing agent and in pyrotechnic formulations.
What is SrO2 used for?
What is the band gap of SrO2?
Is SrO2 a metal, semiconductor, or insulator?
Is SrO2 thermodynamically stable?
What is the crystal structure of SrO2?
What is the density of SrO2?
How many polymorphs of SrO2 are known?
How is SrO2 synthesized?
What elements does SrO2 contain?
Where does the data for SrO2 come from?
How It Compares
As a prominent member of the alkaline earth peroxide group, strontium peroxide is noted for its high thermodynamic stability and well-documented structural diversity, serving as a benchmark material for understanding peroxide chemistry.
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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