Y3I7O
Y3I7O is a metastable, semiconducting compound consisting of yttrium, iodine, and oxygen that is primarily of interest for fundamental structural research.
About Y3I7O
Y3I7O is a complex inorganic compound composed of yttrium, iodine, and oxygen. As a semiconducting material, it occupies a distinct niche in solid-state chemistry, offering potential for specialized electronic applications where specific charge transport properties are required.
Due to its metastable nature, this compound represents a fascinating subject for synthesis studies and structural analysis. It is recognized for its structural diversity, with multiple reported configurations that highlight the intricate coordination chemistry possible within this elemental combination.
Key Properties
Cross-validated computational properties for Y3I7O, 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 Y3I7O, 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 | 2.58 | 0.0669 | -5.204 | 4.29 |
| P63mc (No. 186) | — | — | — | — | — |
| P63mc (No. 186) | Hexagonal | — | — | — | 4.39 |
| P63mc (No. 186) | Hexagonal | — | — | — | 4.29 |
| P63mc (No. 186) | Hexagonal | — | — | — | 4.36 |
Applications
Where Y3I7O is used.
Frequently Asked Questions
Common questions about Y3I7O, answered from cross-validated data.
What is Y3I7O?
Y3I7O is a metastable, semiconducting compound consisting of yttrium, iodine, and oxygen that is primarily of interest for fundamental structural research.
What is Y3I7O used for?
What is the band gap of Y3I7O?
Is Y3I7O a metal, semiconductor, or insulator?
Is Y3I7O thermodynamically stable?
What is the crystal structure of Y3I7O?
What is the density of Y3I7O?
How many polymorphs of Y3I7O are known?
What elements does Y3I7O contain?
Where does the data for Y3I7O come from?
How It Compares
As a unique ternary compound, Y3I7O stands as a specialized material within the landscape of yttrium-based oxyhalides. While it lacks direct structural siblings in this specific grouping, its metastable character distinguishes it from more common, highly stable ceramic oxides, positioning it as a target for advanced materials research.
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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