Sr2I2O
Sr2I2O is a thermodynamically stable, wide-band-gap insulating material composed of strontium, iodine, and oxygen.
About Sr2I2O
Sr2I2O is a thermodynamically stable compound that exhibits wide-band-gap insulating behavior. Its structural configuration places it firmly on the convex hull, indicating a high degree of stability under standard conditions. The material is characterized by its distinct electronic properties, which are typical of insulating oxides and halides.
As a material of interest in solid-state chemistry, Sr2I2O is studied for its unique atomic arrangement and potential for specialized applications. Its stability and insulating nature make it a candidate for research into dielectric materials and other electronic components where wide-gap insulators are required.
Key Properties
Cross-validated computational properties for Sr2I2O, 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 Sr2I2O. 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 Sr2I2O, 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. |
|---|---|---|---|---|---|
| — | — | 3.48 | 0.0000 | -2.310 | — |
| Ibam (No. 72) | orthorhombic | 3.35 | 0.0000 | -2.316 | — |
| Ibam (No. 72) | orthorhombic | 3.28 | 0.1144 | -4.569 | 4.58 |
| Ibam (No. 72) | orthorhombic | — | — | — | 4.55 |
| Ibam (No. 72) | orthorhombic | — | — | — | 4.57 |
| Ibam (No. 72) | orthorhombic | — | — | — | 4.75 |
| Ibam (No. 72) | orthorhombic | — | — | — | 4.48 |
Applications
Where Sr2I2O is used.
Frequently Asked Questions
Common questions about Sr2I2O, answered from cross-validated data.
What is Sr2I2O?
Sr2I2O is a thermodynamically stable, wide-band-gap insulating material composed of strontium, iodine, and oxygen.
What is Sr2I2O used for?
What is the band gap of Sr2I2O?
Is Sr2I2O a metal, semiconductor, or insulator?
Is Sr2I2O thermodynamically stable?
What is the crystal structure of Sr2I2O?
How many polymorphs of Sr2I2O are known?
What elements does Sr2I2O contain?
Where does the data for Sr2I2O come from?
How It Compares
As a unique inorganic compound, Sr2I2O serves as a distinct example of stable strontium-based oxyhalides. While it does not share its specific structural class with other common compounds in this database, it stands as a fundamental reference point for understanding the interplay between strontium, iodine, and oxygen in stable crystalline lattices.
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)
Analyze Sr2I2O in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →