HfKLaO6Ti
HfKLaO6Ti is a metastable, semiconducting complex oxide being researched as a potential lead-free piezoelectric material for electronic applications.
About HfKLaO6Ti
HfKLaO6Ti is a complex quaternary oxide that functions as a semiconducting material within the lead-free piezoelectric family. Its metastable nature suggests a unique structural landscape, making it a subject of interest for researchers investigating non-toxic alternatives to traditional ferroelectric ceramics.
Because of its specific elemental composition involving hafnium, lanthanum, and titanium, this compound offers a distinct electronic profile compared to simpler perovskites. It is primarily studied for its potential role in advanced sensing and energy harvesting technologies where lead-based materials are increasingly restricted.
Key Properties
Cross-validated computational properties for HfKLaO6Ti, 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 HfKLaO6Ti, 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. |
|---|---|---|---|---|---|
| F-43m (No. 216) | cubic | 2.32 | 0.0952 | -8.865 | 6.35 |
| — | — | — | — | — | 4.54 |
| — | — | — | — | — | — |
Applications
Where HfKLaO6Ti is used.
Frequently Asked Questions
Common questions about HfKLaO6Ti, answered from cross-validated data.
What is HfKLaO6Ti?
HfKLaO6Ti is a metastable, semiconducting complex oxide being researched as a potential lead-free piezoelectric material for electronic applications.
What is HfKLaO6Ti used for?
What is the band gap of HfKLaO6Ti?
Is HfKLaO6Ti a metal, semiconductor, or insulator?
Is HfKLaO6Ti thermodynamically stable?
What is the crystal structure of HfKLaO6Ti?
What is the density of HfKLaO6Ti?
How many polymorphs of HfKLaO6Ti are known?
What elements does HfKLaO6Ti contain?
Where does the data for HfKLaO6Ti come from?
How It Compares
Within the lead-free piezoelectrics class.
Within the broad category of lead-free piezoelectrics, HfKLaO6Ti occupies a niche position compared to highly established, stable perovskites like BaTiO3 or KTaO3. While many of its siblings are recognized for their robust, stable crystal lattices, this compound is distinguished by its metastable state, which provides researchers with a different set of structural pathways for tuning electromechanical responses.
Related Compounds
Other Lead-Free Piezoelectrics in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- alexandria — Data from alexandria.
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