Y2HfO5
Y2HfO5 is a stable, insulating oxide-ion conductor utilized in the study of advanced ceramic materials.
About Y2HfO5
Y2HfO5 belongs to the class of fluorite-related oxide-ion conductors, characterized by its wide-band-gap insulating electronic structure. As a near-hull stable compound, it exhibits the structural integrity required for high-temperature ionic transport applications.
This material is of significant interest in materials science due to its potential for defect engineering within the fluorite lattice. Its stability and ionic properties make it a subject of ongoing research for specialized ceramic components and electrolyte development.
Key Properties
Cross-validated computational properties for Y2HfO5, 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 Y2HfO5, 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. |
|---|---|---|---|---|---|
| Cmcm (No. 63) | orthorhombic | 4.38 | 0.0013 | -9.942 | 5.88 |
| Pnma (No. 62) | orthorhombic | 4.05 | 0.0057 | -9.937 | 6.65 |
| C2/c (No. 15) | monoclinic | 4.56 | 0.0289 | -9.914 | 6.27 |
| Pnma (No. 62) | orthorhombic | 4.24 | 0.0370 | -9.906 | 6.19 |
| P21/c (No. 14) | monoclinic | 4.40 | 0.0721 | -9.871 | 6.57 |
| P21/c (No. 14) | Monoclinic | — | — | — | 7.00 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 5.72 |
| P21/c (No. 14) | Monoclinic | — | — | — | 6.57 |
| C2/c (No. 15) | Monoclinic | — | — | — | 6.43 |
| C2/c (No. 15) | Monoclinic | — | — | — | 6.27 |
| C2/c (No. 15) | Monoclinic | — | — | — | 6.66 |
| C2/c (No. 15) | — | — | — | — | — |
Applications
Where Y2HfO5 is used.
Frequently Asked Questions
Common questions about Y2HfO5, answered from cross-validated data.
What is Y2HfO5?
Y2HfO5 is a stable, insulating oxide-ion conductor utilized in the study of advanced ceramic materials.
What is Y2HfO5 used for?
What is the band gap of Y2HfO5?
Is Y2HfO5 a metal, semiconductor, or insulator?
Is Y2HfO5 thermodynamically stable?
What is the crystal structure of Y2HfO5?
What is the density of Y2HfO5?
How many polymorphs of Y2HfO5 are known?
What elements does Y2HfO5 contain?
Where does the data for Y2HfO5 come from?
How It Compares
Within the fluorite oxide-ion conductors class.
Within the diverse family of fluorite-related oxides, Y2HfO5 occupies a niche similar to Y2Zr2O7, balancing structural stability with ionic mobility. While compounds like La2Zr2O7 and CaHfO3 are more widely recognized for their specific thermal or dielectric properties, Y2HfO5 offers a distinct chemical composition that bridges the gap between traditional zirconates and hafnates in this class.
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).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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