LuAlO3
Lutetium aluminum perovskite · LuAP
LuAlO3 is a stable, insulating lutetium-based oxide used primarily for its specialized optical and radiation-detection properties.
About Lutetium aluminum perovskite
LuAlO3 is a wide-gap insulating oxide that exists in a state of high thermodynamic stability, making it a promising candidate for synthesis and practical deployment. Its structural integrity and electronic properties position it as a specialized material within the broader family of complex oxides.
Because of its robust nature and insulating character, this compound is primarily utilized in high-tech fields requiring precise optical responses. It is particularly valued in research and development for its potential in radiation detection and specialized ceramic components.
Key Properties
Cross-validated computational properties for Lutetium aluminum perovskite, 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 LuAlO3. 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 LuAlO3, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 6.28 | 0.0000 | -3.671 | — |
| — | — | 6.17 | 0.0206 | -3.622 | — |
| Pnma (No. 62) | orthorhombic | 5.74 | 0.0210 | -8.406 | 8.22 |
| P63/mmc (No. 194) | hexagonal | 4.04 | 0.0604 | -3.610 | — |
| P63/mmc (No. 194) | hexagonal | 3.65 | 0.0616 | -8.366 | 7.27 |
| R-3c (No. 167) | trigonal | 5.44 | 0.0630 | -3.608 | — |
| — | — | 4.84 | 0.0740 | -3.568 | — |
| — | — | 2.02 | 0.0759 | -3.567 | — |
| R-3c (No. 167) | trigonal | 5.08 | 0.0822 | -8.345 | 8.26 |
| — | — | 5.53 | 0.0835 | -3.559 | — |
| Cmcm (No. 63) | orthorhombic | 3.71 | 0.0983 | -8.329 | 6.70 |
| — | — | 4.10 | 0.1238 | -3.519 | — |
Applications
Where Lutetium aluminum perovskite is used.
Frequently Asked Questions
Common questions about Lutetium aluminum perovskite, answered from cross-validated data.
What is LuAlO3?
LuAlO3 is a stable, insulating lutetium-based oxide used primarily for its specialized optical and radiation-detection properties.
What is LuAlO3 used for?
What is the band gap of LuAlO3?
Is LuAlO3 a metal, semiconductor, or insulator?
Is LuAlO3 thermodynamically stable?
What is the crystal structure of LuAlO3?
How many polymorphs of LuAlO3 are known?
What elements does LuAlO3 contain?
Where does the data for LuAlO3 come from?
How It Compares
Within the spinel oxide catalysts class.
Unlike the transition metal-based oxides in its class such as CuO or NiO, which often exhibit conductive or semiconducting behavior, LuAlO3 is a distinct insulator. While it shares structural similarities with LaAlO3, it offers unique physical properties derived from the heavy rare-earth lutetium cation, distinguishing it from simpler binary oxides like Al2O3 or MgAl2O4 in terms of density and optical utility.
Related Compounds
Other Spinel Oxide Catalysts in the database.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- 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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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