NdAlO3
Neodymium aluminate
Neodymium aluminate is a stable, insulating oxide ceramic used primarily as a high-performance substrate and catalyst support material.
About Neodymium aluminate
Neodymium aluminate is a thermodynamically stable oxide that functions as a wide-gap insulator. Its structural integrity makes it a reliable candidate for high-temperature applications and as a specialized substrate in thin-film electronics.
Beyond its electronic properties, this compound is valued for its chemical stability in catalytic environments. It serves as a robust platform for surface reactions, often utilized where thermal resilience and insulating characteristics are critical for device performance.
Key Properties
Cross-validated computational properties for Neodymium aluminate, aggregated across 2 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 NdAlO3. 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 NdAlO3, 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. |
|---|---|---|---|---|---|
| R-3c (No. 167) | trigonal | 4.37 | 0.0000 | -3.560 | — |
| R-3c (No. 167) | trigonal | 4.35 | 0.0000 | -8.344 | 6.88 |
| — | — | 4.30 | 0.0002 | -3.512 | — |
| — | — | 3.86 | 0.0010 | -3.512 | — |
| — | — | 4.05 | 0.0015 | -3.511 | — |
| — | — | 4.60 | 0.0015 | -3.511 | — |
| — | — | 3.50 | 0.0050 | -3.508 | — |
| Pm-3m (No. 221) | cubic | 2.98 | 0.0232 | -3.536 | — |
| Pm-3m (No. 221) | cubic | 2.86 | 0.0275 | -8.317 | 6.98 |
| — | — | 2.93 | 0.0277 | -3.485 | — |
| — | — | 3.13 | 0.0288 | -3.484 | — |
| — | — | 3.14 | 0.0290 | -3.484 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting NdAlO3.
Applications
Where Neodymium aluminate is used.
Patent Landscape
1 patent reference NdAlO3 or close compositional variants.
| Patent | Title | Assignee | Granted |
|---|---|---|---|
| 4178187 | Mixed oxide compound NdAlO.sub.3 for casting advanced superalloy materials | — | — |
Frequently Asked Questions
Common questions about Neodymium aluminate, answered from cross-validated data.
What is NdAlO3?
Neodymium aluminate is a stable, insulating oxide ceramic used primarily as a high-performance substrate and catalyst support material.
What is NdAlO3 used for?
What is the band gap of NdAlO3?
Is NdAlO3 a metal, semiconductor, or insulator?
Is NdAlO3 thermodynamically stable?
What is the crystal structure of NdAlO3?
How many polymorphs of NdAlO3 are known?
How is NdAlO3 synthesized?
What elements does NdAlO3 contain?
Where does the data for NdAlO3 come from?
How It Compares
Within the spinel oxide catalysts class.
Within the diverse family of spinel and perovskite-related oxides, NdAlO3 shares structural similarities with LaAlO3, both serving as stable, insulating aluminates. While transition metal-based siblings like LaNiO3 or CuO exhibit conductive or semiconducting behaviors suited for redox catalysis, NdAlO3 is distinguished by its inert, wide-gap nature, making it a superior choice for applications requiring structural support without electronic interference.
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)
- 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)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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