SrClF
SrClF is a stable, insulating strontium halide compound used in advanced materials research.
About SrClF
SrClF is a stable inorganic compound featuring strontium, chlorine, and fluorine. As a wide-band-gap insulator, it exhibits robust electronic properties that make it an interesting candidate for specialized materials research and optical applications.
Its position on the convex hull confirms its thermodynamic stability, ensuring structural integrity under standard conditions. With multiple reported structures, this compound serves as a significant reference point for researchers investigating complex halide architectures.
Key Properties
Cross-validated computational properties for SrClF, 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 SrClF. 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 SrClF, 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. |
|---|---|---|---|---|---|
| — | — | 5.97 | 0.0000 | -3.502 | — |
| P4/nmm (No. 129) | tetragonal | 5.92 | 0.0000 | -3.485 | — |
| P4/nmm (No. 129) | tetragonal | 5.95 | 0.0214 | -3.463 | — |
| P4/nmm (No. 129) | tetragonal | 5.95 | 0.0214 | -3.463 | — |
| — | — | 6.13 | 0.0375 | -3.465 | — |
| — | — | 5.93 | 0.0692 | -3.433 | — |
| — | — | 4.44 | 0.1303 | -3.372 | — |
| P4/nmm (No. 129) | tetragonal | 5.94 | 0.1758 | -5.204 | 3.97 |
| — | — | 6.17 | 0.2133 | -3.289 | — |
| — | — | 5.68 | 0.2303 | -3.272 | — |
| P-1 (No. 2) | triclinic | — | — | — | 3.50 |
| Pmmn (No. 59) | orthorhombic | — | — | — | 2.84 |
Applications
Where SrClF is used.
Frequently Asked Questions
Common questions about SrClF, answered from cross-validated data.
What is SrClF?
SrClF is a stable, insulating strontium halide compound used in advanced materials research.
What is SrClF used for?
What is the band gap of SrClF?
Is SrClF a metal, semiconductor, or insulator?
Is SrClF thermodynamically stable?
What is the crystal structure of SrClF?
How many polymorphs of SrClF are known?
What elements does SrClF contain?
Where does the data for SrClF come from?
How It Compares
As a distinct halide compound, SrClF occupies a unique niche within the broader landscape of strontium-based materials. While it lacks direct structural siblings in this specific grouping, its stability and insulating character distinguish it as a reliable building block for advanced material synthesis.
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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