SrI2
strontium iodide
Strontium iodide is a stable, wide-band-gap insulating salt frequently utilized in radiation detection systems.
About strontium iodide
Strontium iodide is a chemically robust, thermodynamically stable inorganic compound characterized by its insulating electronic nature. As a wide-band-gap material, it is highly valued for its ability to interact with ionizing radiation, making it a critical component in high-performance sensing applications.
Its structural versatility is evidenced by the numerous reported crystal configurations found across material databases. This adaptability allows researchers to fine-tune its physical properties for specialized use in demanding environments where stability and electronic performance are paramount.
Key Properties
Cross-validated computational properties for strontium iodide, 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 SrI2. 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 SrI2, 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. |
|---|---|---|---|---|---|
| — | — | 4.16 | 0.0000 | -1.838 | — |
| Pnma (No. 62) | orthorhombic | 3.80 | 0.0000 | -3.541 | 4.24 |
| Pnma (No. 62) | orthorhombic | 3.78 | 0.0000 | -1.787 | — |
| — | — | 4.16 | 0.0003 | -1.838 | — |
| — | — | 0.00 | 0.0004 | -1.838 | — |
| — | — | 4.16 | 0.0007 | -1.838 | — |
| — | — | 4.01 | 0.0012 | -1.837 | — |
| — | — | 4.18 | 0.0025 | -1.836 | — |
| — | — | 4.15 | 0.0026 | -1.836 | — |
| Pbca (No. 61) | orthorhombic | 4.05 | 0.0027 | -1.784 | — |
| Pbca (No. 61) | orthorhombic | 3.84 | 0.0096 | -3.532 | 4.42 |
| — | — | 3.96 | 0.0124 | -1.826 | — |
Applications
Where strontium iodide is used.
Frequently Asked Questions
Common questions about strontium iodide, answered from cross-validated data.
What is SrI2?
Strontium iodide is a stable, wide-band-gap insulating salt frequently utilized in radiation detection systems.
What is SrI2 used for?
What is the band gap of SrI2?
Is SrI2 a metal, semiconductor, or insulator?
Is SrI2 thermodynamically stable?
What is the crystal structure of SrI2?
How many polymorphs of SrI2 are known?
What elements does SrI2 contain?
Where does the data for SrI2 come from?
How It Compares
As a standalone representative of its class, strontium iodide serves as a benchmark for heavy-metal halide performance, offering a unique combination of thermodynamic stability and favorable electronic characteristics that distinguish it from more volatile or less chemically resilient halide alternatives.
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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