Sr4I6O
Sr4I6O is a stable, wide-gap insulating compound composed of strontium, iodine, and oxygen.
About Sr4I6O
Sr4I6O is a distinct strontium-based oxyiodide that exists as a thermodynamically stable phase on the convex hull. Its electronic character is defined by a wide band gap, classifying it as an insulator with significant structural integrity.
This compound represents an interesting intersection of alkaline earth metal chemistry and halide-oxide systems. Due to its stability and insulating nature, it serves as a foundational material for researchers investigating complex inorganic lattices and dielectric properties.
Key Properties
Cross-validated computational properties for Sr4I6O, 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.
Reported Structures
Lowest-energy structures reported for Sr4I6O, 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. |
|---|---|---|---|---|---|
| P63mc (No. 186) | hexagonal | 3.59 | 0.0000 | -4.082 | 4.75 |
| P63mc (No. 186) | — | — | — | — | — |
| P63mc (No. 186) | Hexagonal | — | — | — | 4.74 |
| P63mc (No. 186) | Hexagonal | — | — | — | 4.67 |
| P63mc (No. 186) | Hexagonal | — | — | — | 4.74 |
Applications
Where Sr4I6O is used.
Frequently Asked Questions
Common questions about Sr4I6O, answered from cross-validated data.
What is Sr4I6O?
Sr4I6O is a stable, wide-gap insulating compound composed of strontium, iodine, and oxygen.
What is Sr4I6O used for?
What is the band gap of Sr4I6O?
Is Sr4I6O a metal, semiconductor, or insulator?
Is Sr4I6O thermodynamically stable?
What is the crystal structure of Sr4I6O?
What is the density of Sr4I6O?
How many polymorphs of Sr4I6O are known?
What elements does Sr4I6O contain?
Where does the data for Sr4I6O come from?
How It Compares
As a unique oxyiodide, Sr4I6O occupies a specialized niche within inorganic chemistry. Unlike more common binary halides or oxides, this compound demonstrates the structural complexity possible when incorporating oxygen into a strontium-iodide framework, providing a stable platform for studying multi-anion coordination environments.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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