LuTaO4
Lutetium tantalate · Lutetium orthotantalate
Lutetium tantalate is a stable, insulating oxide widely utilized as a high-density phosphor host in X-ray imaging technology.
About Lutetium tantalate
Lutetium tantalate is a robust, thermodynamically stable inorganic oxide that functions as a wide-gap insulator. Its structural integrity and electronic properties make it a highly reliable material for demanding optical and sensing environments.
Because it sits firmly on the convex hull, this compound exhibits excellent chemical and thermal stability. These characteristics are essential for its role in high-performance applications where material longevity and consistent performance under radiation are critical.
Key Properties
Cross-validated computational properties for Lutetium tantalate, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of LuTaO4. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for LuTaO4, 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. |
|---|---|---|---|---|---|
| P2/c (No. 13) | monoclinic | 4.32 | 0.0000 | -9.784 | 9.88 |
| — | — | 4.13 | 0.0000 | -3.566 | — |
| P2/c (No. 13) | monoclinic | 4.12 | 0.0000 | -3.536 | — |
| C2/c (No. 15) | monoclinic | 4.08 | 0.0027 | -3.533 | — |
| C2/c (No. 15) | monoclinic | 4.05 | 0.0042 | -9.780 | 9.97 |
| — | — | 4.30 | 0.0085 | -3.557 | — |
| — | — | 4.52 | 0.1189 | -3.447 | — |
| P2/c (No. 13) | monoclinic | — | — | — | 9.75 |
| P2/c (No. 13) | monoclinic | — | — | — | 9.44 |
| P2/c (No. 13) | monoclinic | — | — | — | 9.87 |
| P2/c (No. 13) | monoclinic | — | — | — | 9.22 |
Synthesis Routes
Literature-extracted synthesis procedures targeting LuTaO4.
Applications
Where Lutetium tantalate is used.
Frequently Asked Questions
Common questions about Lutetium tantalate, answered from cross-validated data.
What is LuTaO4?
Lutetium tantalate is a stable, insulating oxide widely utilized as a high-density phosphor host in X-ray imaging technology.
What is LuTaO4 used for?
What is the band gap of LuTaO4?
Is LuTaO4 a metal, semiconductor, or insulator?
Is LuTaO4 thermodynamically stable?
What is the crystal structure of LuTaO4?
What is the density of LuTaO4?
How many polymorphs of LuTaO4 are known?
How is LuTaO4 synthesized?
What elements does LuTaO4 contain?
Where does the data for LuTaO4 come from?
How It Compares
As a member of the rare-earth tantalate family, this compound is recognized for its superior density and stability compared to many other luminescent host materials. It serves as a benchmark for high-performance scintillators, offering a unique combination of structural reliability and optical efficiency that distinguishes it from less stable oxide alternatives.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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