CaAl4O7
calcium dialuminate · calcium aluminate
CaAl4O7 is a stable, insulating calcium aluminate ceramic used in high-temperature catalytic and structural applications.
About calcium dialuminate
CaAl4O7 is a thermodynamically stable oxide that serves as a key member of the aluminate-based spinel family. Its electronic structure is characterized as a wide-gap insulator, which contributes to its robust chemical and thermal resilience in demanding environments.
This compound is highly valued for its structural integrity and chemical inertness. It is frequently utilized in advanced catalytic processes and as a foundational material in high-performance ceramics where stability under extreme conditions is a primary requirement.
Key Properties
Cross-validated computational properties for calcium dialuminate, 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.
Reported Structures
Lowest-energy structures reported for CaAl4O7, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 4.00 | 0.0000 | -7.766 | 2.90 |
| C2/c (No. 15) | — | — | — | — | — |
| C2/c (No. 15) | Monoclinic | — | — | — | 2.81 |
| C2/c (No. 15) | Monoclinic | — | — | — | 2.97 |
| C2/c (No. 15) | Monoclinic | — | — | — | 2.89 |
Synthesis Routes
Literature-extracted synthesis procedures targeting CaAl4O7.
Applications
Where calcium dialuminate is used.
Frequently Asked Questions
Common questions about calcium dialuminate, answered from cross-validated data.
What is CaAl4O7?
CaAl4O7 is a stable, insulating calcium aluminate ceramic used in high-temperature catalytic and structural applications.
What is CaAl4O7 used for?
What is the band gap of CaAl4O7?
Is CaAl4O7 a metal, semiconductor, or insulator?
Is CaAl4O7 thermodynamically stable?
What is the crystal structure of CaAl4O7?
What is the density of CaAl4O7?
How many polymorphs of CaAl4O7 are known?
How is CaAl4O7 synthesized?
What elements does CaAl4O7 contain?
Where does the data for CaAl4O7 come from?
How It Compares
Within the spinel oxide catalysts class.
Unlike the transition metal-based spinel oxides such as CuO or NiO, which often exhibit metallic or semiconducting behavior, CaAl4O7 remains a distinct wide-gap insulator. While it shares the structural stability common to MgAl2O4, it offers a unique chemical profile that differentiates it from the more reactive perovskite-type oxides like LaMnO3 or LaNiO3.
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).
- mpaloe — Data from mpaloe.
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