LiAlNi3O5
LiAlNi3O5 is a metastable, wide-gap insulating oxide containing lithium, aluminum, nickel, and oxygen, primarily studied for its structural properties in energy materials research.
About LiAlNi3O5
LiAlNi3O5 belongs to the class of layered lithium transition-metal oxides, characterized by its insulating electronic nature and metastable thermodynamic state. This compound represents a complex arrangement of lithium, aluminum, nickel, and oxygen atoms that offers unique structural insights for materials science research.
As a member of this specialized oxide family, it serves as a subject of investigation for potential applications in battery technology and electrochemical systems. Its structural complexity, supported by multiple reported configurations, makes it a notable candidate for studying phase stability and ion transport mechanisms in layered oxide frameworks.
Key Properties
Cross-validated computational properties for LiAlNi3O5, 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 LiAlNi3O5, 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/m (No. 12) | monoclinic | 3.07 | 0.0457 | -6.697 | 5.36 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.36 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.66 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.54 |
| C2/m (No. 12) | — | — | — | — | — |
Applications
Where LiAlNi3O5 is used.
Frequently Asked Questions
Common questions about LiAlNi3O5, answered from cross-validated data.
What is LiAlNi3O5?
LiAlNi3O5 is a metastable, wide-gap insulating oxide containing lithium, aluminum, nickel, and oxygen, primarily studied for its structural properties in energy materials research.
What is LiAlNi3O5 used for?
What is the band gap of LiAlNi3O5?
Is LiAlNi3O5 a metal, semiconductor, or insulator?
Is LiAlNi3O5 thermodynamically stable?
What is the crystal structure of LiAlNi3O5?
What is the density of LiAlNi3O5?
How many polymorphs of LiAlNi3O5 are known?
What elements does LiAlNi3O5 contain?
Where does the data for LiAlNi3O5 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the broader family of layered lithium transition-metal oxides, LiAlNi3O5 occupies a distinct niche compared to well-established cathode materials like LiCoO2 or LiNiO2. While those siblings are widely utilized for their robust electrochemical performance, LiAlNi3O5 is distinguished by its metastable nature and insulating character, positioning it as an experimental alternative for fundamental studies rather than a standard commercial electrode material.
Related Compounds
Other Layered Lithium Transition-Metal Oxides 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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