KAlO2
Potassium aluminate · Potassium meta-aluminate
KAlO2 is a stable, insulating perovskite oxide used in ceramic synthesis and materials science research.
About Potassium aluminate
Potassium aluminate is a robust, thermodynamically stable member of the perovskite oxide family. As a wide-band-gap insulator, it exhibits distinct electronic characteristics that make it a subject of significant interest for structural and dielectric investigations within solid-state chemistry.
This compound is frequently studied for its role in high-temperature ceramic applications and as a precursor in the synthesis of specialized aluminate materials. Its stability on the convex hull underscores its reliability as a building block for complex oxide systems.
Key Properties
Cross-validated computational properties for Potassium aluminate, 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 KAlO2. 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 KAlO2, 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. |
|---|---|---|---|---|---|
| Pbca (No. 61) | orthorhombic | 4.24 | 0.0000 | -2.847 | — |
| — | — | 4.22 | 0.0000 | -2.776 | — |
| Pbca (No. 61) | orthorhombic | 4.00 | 0.0000 | -6.603 | 2.86 |
| — | — | 4.32 | 0.0011 | -2.775 | — |
| P41212 (No. 92) | tetragonal | 3.75 | 0.0075 | -6.595 | 2.78 |
| P41212 (No. 92) | tetragonal | 4.15 | 0.0204 | -2.827 | — |
| — | — | 3.27 | 0.0592 | -2.717 | — |
| Fd-3m (No. 227) | cubic | 2.95 | 0.0659 | -6.537 | 2.49 |
| Fd-3m (No. 227) | cubic | 2.99 | 0.0903 | -2.757 | — |
| — | — | 4.68 | 0.2331 | -2.543 | — |
| — | — | 4.00 | 0.2406 | -2.535 | — |
| P41212 (No. 92) | tetragonal | — | — | — | 2.82 |
Synthesis Routes
Literature-extracted synthesis procedures targeting KAlO2.
Applications
Where Potassium aluminate is used.
Frequently Asked Questions
Common questions about Potassium aluminate, answered from cross-validated data.
What is KAlO2?
KAlO2 is a stable, insulating perovskite oxide used in ceramic synthesis and materials science research.
What is KAlO2 used for?
What is the band gap of KAlO2?
Is KAlO2 a metal, semiconductor, or insulator?
Is KAlO2 thermodynamically stable?
What is the crystal structure of KAlO2?
How many polymorphs of KAlO2 are known?
How is KAlO2 synthesized?
What elements does KAlO2 contain?
Where does the data for KAlO2 come from?
How It Compares
Within the perovskite oxides class.
Unlike the transition-metal-based perovskites such as LaNiO3 or LaMnO3, which often exhibit complex magnetic or metallic behaviors, KAlO2 is characterized by its stable, insulating electronic structure. It shares more structural commonalities with wide-gap insulators like LaAlO3, serving as a simpler, alkali-metal-containing analog that provides a baseline for understanding the stability of perovskite frameworks.
Related Compounds
Other Perovskite Oxides 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.
- 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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