Al12O36P12
Al12O36P12 is a thermodynamically stable, wide-band-gap insulating aluminum phosphate compound used primarily in structural materials research.
About Al12O36P12
Al12O36P12 is a complex aluminum phosphate compound that exists as a thermodynamically stable phase on the convex hull. Its structural integrity and chemical composition make it a significant subject for materials science investigations into phosphate-based frameworks. As a wide-band-gap insulator, this material exhibits electronic properties characteristic of highly stable dielectric solids. It is primarily utilized in academic and industrial research settings where the fundamental properties of aluminum-phosphorus-oxygen systems are analyzed for potential advanced material development. The compound is notable for its structural diversity, with multiple documented configurations that highlight its versatile bonding environment.
Key Properties
Cross-validated computational properties for Al12O36P12, 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 Al12O36P12, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 5.96 | 0.0000 | -7.805 | 2.53 |
| I-43d (No. 220) | cubic | 5.71 | 0.0099 | -7.795 | 2.71 |
| P-3c1 (No. 165) | trigonal | 5.52 | 0.0148 | -7.790 | 2.76 |
| Cc (No. 9) | monoclinic | 5.81 | 0.0208 | -7.784 | 2.95 |
| No. 0 | unknown | — | — | — | 0.07 |
| P2/c (No. 13) | monoclinic | — | — | — | 0.76 |
| — | — | — | — | — | 3.75 |
| No. 0 | unknown | — | — | — | 0.46 |
| No. 0 | unknown | — | — | — | 0.46 |
| — | — | — | — | — | 3.75 |
| — | — | — | — | — | 3.75 |
| No. 0 | unknown | — | — | — | 0.75 |
Applications
Where Al12O36P12 is used.
Frequently Asked Questions
Common questions about Al12O36P12, answered from cross-validated data.
What is Al12O36P12?
Al12O36P12 is a thermodynamically stable, wide-band-gap insulating aluminum phosphate compound used primarily in structural materials research.
What is Al12O36P12 used for?
What is the band gap of Al12O36P12?
Is Al12O36P12 a metal, semiconductor, or insulator?
Is Al12O36P12 thermodynamically stable?
What is the crystal structure of Al12O36P12?
What is the density of Al12O36P12?
How many polymorphs of Al12O36P12 are known?
What elements does Al12O36P12 contain?
Where does the data for Al12O36P12 come from?
How It Compares
As a thermodynamically stable member of the aluminum phosphate family, Al12O36P12 serves as a foundational reference point for understanding the phase behavior of complex ternary oxides. It represents a robust structural archetype within its class, providing a benchmark for the stability and electronic insulating characteristics expected in similar high-order phosphate frameworks.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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