YZr5O11
YZr5O11 is a metastable, semiconducting fluorite-type oxide designed for research into oxygen-ion transport mechanisms.
About YZr5O11
YZr5O11 is a complex oxide belonging to the fluorite-related family of materials. As a semiconducting oxide-ion conductor, it represents a specialized composition within the yttria-zirconia system, characterized by its metastable nature and structural complexity.
This material is of significant interest in solid-state ionics research, where the interplay between oxygen vacancy concentration and crystal structure dictates transport properties. Its unique stoichiometry makes it a subject of study for understanding ion migration pathways in non-equilibrium oxide phases.
Key Properties
Cross-validated computational properties for YZr5O11, 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 YZr5O11, 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. |
|---|---|---|---|---|---|
| Pm (No. 6) | monoclinic | 0.76 | 0.0857 | -9.802 | 5.61 |
| Pm (No. 6) | — | — | — | — | — |
| Pm (No. 6) | Monoclinic | — | — | — | 6.08 |
| Pm (No. 6) | Monoclinic | — | — | — | 5.61 |
| Pm (No. 6) | Monoclinic | — | — | — | 5.80 |
Applications
Where YZr5O11 is used.
Frequently Asked Questions
Common questions about YZr5O11, answered from cross-validated data.
What is YZr5O11?
YZr5O11 is a metastable, semiconducting fluorite-type oxide designed for research into oxygen-ion transport mechanisms.
What is YZr5O11 used for?
What is the band gap of YZr5O11?
Is YZr5O11 a metal, semiconductor, or insulator?
Is YZr5O11 thermodynamically stable?
What is the crystal structure of YZr5O11?
What is the density of YZr5O11?
How many polymorphs of YZr5O11 are known?
What elements does YZr5O11 contain?
Where does the data for YZr5O11 come from?
How It Compares
Within the fluorite oxide-ion conductors class.
Within the diverse landscape of fluorite-based oxide-ion conductors, YZr5O11 occupies a distinct niche compared to more common pyrochlore-structured phases like Y2Zr2O7 or La2Zr2O7. While many of its siblings rely on highly ordered cation sublattices to facilitate ionic transport, this compound exhibits a different structural arrangement that challenges standard models of conductivity in zirconate-based systems.
Related Compounds
Other Fluorite Oxide-Ion Conductors in the database.
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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