LiAlSiO4
Eucryptite · alpha-eucryptite, beta-eucryptite
LiAlSiO4 is a stable, insulating aluminosilicate framework material widely recognized for its importance in ceramic science and lithium-ion research.
About Eucryptite
LiAlSiO4 is a structurally diverse aluminosilicate that exists in multiple phases, most notably as a stable framework material. Its insulating electronic character and robust thermodynamic stability make it a significant subject of study within the broader family of silicate minerals and synthetic frameworks.
Due to its ability to accommodate lithium ions within its lattice, this compound is highly relevant for research into solid-state electrolytes and ceramic materials with low thermal expansion. Its structural flexibility allows it to adapt to various conditions, maintaining stability across a wide range of environments.
Key Properties
Cross-validated computational properties for Eucryptite, aggregated across 4 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 LiAlSiO4, 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. |
|---|---|---|---|---|---|
| R3 (No. 146) | trigonal | 5.25 | 0.0000 | -7.621 | 2.69 |
| P6422 (No. 181) | hexagonal | 4.85 | 0.0062 | -7.615 | 2.35 |
| P6222 (No. 180) | hexagonal | 4.85 | 0.0067 | -7.614 | 2.27 |
| P6222 (No. 180) | hexagonal | 4.80 | 0.0077 | -7.613 | 2.26 |
| P6422 (No. 181) | hexagonal | 4.80 | 0.0077 | -7.613 | 2.26 |
| P6222 (No. 180) | hexagonal | 4.69 | 0.0195 | -7.601 | 2.28 |
| Pc (No. 7) | monoclinic | 5.21 | 0.0224 | -7.598 | 2.49 |
| Pna21 (No. 33) | orthorhombic | 5.24 | 0.0271 | -7.594 | 2.48 |
| P2 (No. 3) | monoclinic | 4.70 | 0.0301 | -7.591 | 2.28 |
| P2 (No. 3) | Monoclinic | — | — | — | 2.28 |
| P6222 (No. 180) | Hexagonal | — | — | — | 2.28 |
| Pna21 (No. 33) | Orthorhombic | — | — | — | 2.63 |
Applications
Where Eucryptite is used.
Frequently Asked Questions
Common questions about Eucryptite, answered from cross-validated data.
What is LiAlSiO4?
LiAlSiO4 is a stable, insulating aluminosilicate framework material widely recognized for its importance in ceramic science and lithium-ion research.
What is LiAlSiO4 used for?
What is the band gap of LiAlSiO4?
Is LiAlSiO4 a metal, semiconductor, or insulator?
Is LiAlSiO4 thermodynamically stable?
What is the crystal structure of LiAlSiO4?
What is the density of LiAlSiO4?
How many polymorphs of LiAlSiO4 are known?
What elements does LiAlSiO4 contain?
Where does the data for LiAlSiO4 come from?
How It Compares
Within the aluminosilicates and zeolite frameworks class.
Within the diverse class of aluminosilicates, LiAlSiO4 occupies a unique niche compared to minerals like KAlSiO4 or NaAlSi3O8. While many members of this group are naturally occurring rock-forming minerals, LiAlSiO4 is particularly valued for its specific lithium-hosting framework, distinguishing it from the more common calcium or magnesium-based silicates like Ca2Al2SiO7 or Mg2Al4Si5O18.
Related Compounds
Other Aluminosilicates and Zeolite Frameworks in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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