LiAlSi2O7
This compound is a lithium aluminosilicate mineral phase often studied for its structural properties in ceramic science. It is primarily investigated for its potential role in advanced materials development, particularly in applications requiring thermal stability and chemical durability.
Key Properties
Cross-validated computational properties for LiAlSi2O7, 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 LiAlSi2O7, 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. |
|---|---|---|---|---|---|
| P1 (No. 1) | triclinic | 0.00 | 0.1614 | -7.423 | 2.19 |
| P1 (No. 1) | triclinic | 1.86 | 0.2961 | -7.288 | 2.15 |
| No. 0 | unknown | — | — | — | 2.27 |
| No. 0 | unknown | — | — | — | 2.28 |
| No. 0 | unknown | — | — | — | 2.26 |
| P1 (No. 1) | Triclinic | — | — | — | 2.27 |
| No. 0 | unknown | — | — | — | 2.42 |
| P1 (No. 1) | Triclinic | — | — | — | 2.19 |
| P1 (No. 1) | Triclinic | — | — | — | 2.43 |
Applications
Where LiAlSi2O7 is used.
Frequently Asked Questions
Common questions about LiAlSi2O7, answered from cross-validated data.
What is LiAlSi2O7?
This compound is a lithium aluminosilicate mineral phase often studied for its structural properties in ceramic science. It is primarily investigated for its potential role in advanced materials development, particularly in applications requiring thermal stability and chemical durability.
What is LiAlSi2O7 used for?
What is the band gap of LiAlSi2O7?
Is LiAlSi2O7 a metal, semiconductor, or insulator?
Is LiAlSi2O7 thermodynamically stable?
What is the crystal structure of LiAlSi2O7?
What is the density of LiAlSi2O7?
How many polymorphs of LiAlSi2O7 are known?
What elements does LiAlSi2O7 contain?
Where does the data for LiAlSi2O7 come from?
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- mpaloe — Data from mpaloe.
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