SrCl2
strontium chloride · strontian chloride
Strontium chloride is a stable, insulating salt widely used in pyrotechnics, oral health products, and industrial glass production.
About strontium chloride
Strontium chloride is a robust, thermodynamically stable inorganic salt that functions as a wide-gap insulator. Its structural versatility is evidenced by the extensive number of reported crystallographic arrangements found in materials databases, highlighting its significance in solid-state chemistry.
Due to its unique chemical properties, this compound serves as a critical precursor in industrial processes. It is widely utilized in the production of specialized glass, as a colorant in pyrotechnics to produce brilliant red flames, and as an active ingredient in sensitive-teeth toothpaste formulations.
Key Properties
Cross-validated computational properties for strontium chloride, 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 SrCl2. 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 SrCl2, 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. |
|---|---|---|---|---|---|
| — | — | 5.53 | 0.0000 | -2.734 | — |
| Fm-3m (No. 225) | cubic | 5.50 | 0.0000 | -2.627 | — |
| Fm-3m (No. 225) | cubic | 5.50 | 0.0000 | -2.627 | — |
| Fm-3m (No. 225) | cubic | 5.23 | 0.0000 | -4.690 | 3.07 |
| — | — | 5.50 | 0.0003 | -2.734 | — |
| — | — | 5.56 | 0.0064 | -2.728 | — |
| — | — | 5.63 | 0.0074 | -2.727 | — |
| — | — | 5.64 | 0.0104 | -2.724 | — |
| — | — | 5.42 | 0.0221 | -2.712 | — |
| — | — | 5.57 | 0.0229 | -2.711 | — |
| — | — | 5.46 | 0.0245 | -2.710 | — |
| — | — | 5.56 | 0.0258 | -2.708 | — |
Applications
Where strontium chloride is used.
Frequently Asked Questions
Common questions about strontium chloride, answered from cross-validated data.
What is SrCl2?
Strontium chloride is a stable, insulating salt widely used in pyrotechnics, oral health products, and industrial glass production.
What is SrCl2 used for?
What is the band gap of SrCl2?
Is SrCl2 a metal, semiconductor, or insulator?
Is SrCl2 thermodynamically stable?
What is the crystal structure of SrCl2?
How many polymorphs of SrCl2 are known?
What elements does SrCl2 contain?
Where does the data for SrCl2 come from?
How It Compares
As a primary strontium-based halide, this compound serves as a foundational material within its class. It is characterized by its high thermodynamic stability and structural flexibility, providing a reliable benchmark for the behavior of alkaline earth metal halides in various chemical environments.
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.
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