Ba3SrI8
Ba3SrI8 is a wide-gap insulating ternary iodide that is theoretically stable and potentially synthesizable for use in specialized electronic applications.
About Ba3SrI8
Ba3SrI8 is a complex iodide material characterized by its wide-gap insulating electronic profile. Its structural arrangement suggests a stable configuration that makes it a subject of interest for researchers exploring new halide-based materials for optoelectronic applications.
Because it sits near the thermodynamic hull, the compound is considered a viable candidate for experimental synthesis. Its unique stoichiometry involving barium and strontium highlights the potential for tuning lattice properties to achieve specific performance characteristics in insulating solid-state systems.
Key Properties
Cross-validated computational properties for Ba3SrI8, 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 Ba3SrI8, 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. |
|---|---|---|---|---|---|
| I4/mmm (No. 139) | tetragonal | 3.30 | 0.0078 | -3.657 | 4.44 |
| I4/mmm (No. 139) | — | — | — | — | — |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 4.39 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 4.46 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 4.47 |
Applications
Where Ba3SrI8 is used.
Frequently Asked Questions
Common questions about Ba3SrI8, answered from cross-validated data.
What is Ba3SrI8?
Ba3SrI8 is a wide-gap insulating ternary iodide that is theoretically stable and potentially synthesizable for use in specialized electronic applications.
What is Ba3SrI8 used for?
What is the band gap of Ba3SrI8?
Is Ba3SrI8 a metal, semiconductor, or insulator?
Is Ba3SrI8 thermodynamically stable?
What is the crystal structure of Ba3SrI8?
What is the density of Ba3SrI8?
How many polymorphs of Ba3SrI8 are known?
What elements does Ba3SrI8 contain?
Where does the data for Ba3SrI8 come from?
How It Compares
As a specialized iodide, Ba3SrI8 occupies a distinct niche within the broader family of alkaline-earth halide insulators. While it shares the insulating nature common to many binary and ternary iodides, its specific cation ratio provides a unique structural framework that differentiates it from simpler, more common halide compounds.
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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