BaAl2O4
barium aluminate · barium monoaluminate
BaAl2O4 is a stable, insulating barium aluminate ceramic used in refractory materials and as a host for luminescent compounds.
About barium aluminate
BaAl2O4 is a robust, thermodynamically stable oxide that occupies a key position on the convex hull, indicating high structural integrity. As a wide-gap insulating material, it possesses the chemical durability required for demanding industrial environments where structural stability is paramount.
Beyond its role as a catalyst support, this compound is widely utilized in the development of advanced phosphors and refractory ceramics. Its ability to maintain phase stability under harsh conditions makes it a reliable candidate for high-performance materials science research.
Key Properties
Cross-validated computational properties for barium 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.
Reported Structures
Lowest-energy structures reported for BaAl2O4, 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. |
|---|---|---|---|---|---|
| P63 (No. 173) | hexagonal | 4.10 | 0.0000 | -7.620 | 4.05 |
| P6322 (No. 182) | hexagonal | 3.94 | 0.0013 | -7.619 | 4.04 |
| C2 (No. 5) | monoclinic | 3.93 | 0.0042 | -7.616 | 3.92 |
| P6322 (No. 182) | — | — | — | — | — |
| P63 (No. 173) | — | — | — | — | — |
| P6322 (No. 182) | — | — | — | — | — |
Applications
Where barium aluminate is used.
Frequently Asked Questions
Common questions about barium aluminate, answered from cross-validated data.
What is BaAl2O4?
BaAl2O4 is a stable, insulating barium aluminate ceramic used in refractory materials and as a host for luminescent compounds.
What is BaAl2O4 used for?
What is the band gap of BaAl2O4?
Is BaAl2O4 a metal, semiconductor, or insulator?
Is BaAl2O4 thermodynamically stable?
What is the crystal structure of BaAl2O4?
What is the density of BaAl2O4?
How many polymorphs of BaAl2O4 are known?
What elements does BaAl2O4 contain?
Where does the data for BaAl2O4 come from?
How It Compares
Within the spinel oxide catalysts class.
Within the diverse family of spinel and related oxide catalysts, BaAl2O4 is distinguished by its insulating electronic character, contrasting sharply with the conductive or semiconducting nature of transition-metal-based siblings like LaNiO3 or CuO. While MgAl2O4 serves as a classic structural spinel, BaAl2O4 offers unique lattice properties that provide a distinct alternative for specialized catalytic and optical host applications.
Related Compounds
Other Spinel Oxide Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
Analyze BaAl2O4 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →