LiTiNiO4
LiTiNiO4 is a metastable, semiconducting lithium transition-metal oxide used in advanced materials research for electrochemical applications.
About LiTiNiO4
LiTiNiO4 is a complex lithium transition-metal oxide characterized by its semiconducting electronic nature. As a metastable phase, it represents a unique structural arrangement within the broader family of lithium-based oxides, offering researchers a distinct platform for studying ion transport and electronic behavior.
This material is primarily investigated for its role in energy storage technologies. Its specific coordination environment and transition-metal composition make it an interesting candidate for exploring new electrode chemistries where structural stability and electronic conductivity must be carefully balanced.
Key Properties
Cross-validated computational properties for LiTiNiO4, 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 LiTiNiO4, 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 | 0.69 | 0.0462 | -7.396 | 4.05 |
| Imma (No. 74) | orthorhombic | 0.00 | 0.0544 | -7.388 | 4.07 |
| C2/c (No. 15) | Monoclinic | — | — | — | 4.05 |
| C2/c (No. 15) | Monoclinic | — | — | — | 4.30 |
| C2/c (No. 15) | Monoclinic | — | — | — | 4.18 |
| Imma (No. 74) | Orthorhombic | — | — | — | 4.31 |
| Imma (No. 74) | — | — | — | — | — |
| Imma (No. 74) | Orthorhombic | — | — | — | 4.07 |
| Imma (No. 74) | Orthorhombic | — | — | — | 4.20 |
Applications
Where LiTiNiO4 is used.
Frequently Asked Questions
Common questions about LiTiNiO4, answered from cross-validated data.
What is LiTiNiO4?
LiTiNiO4 is a metastable, semiconducting lithium transition-metal oxide used in advanced materials research for electrochemical applications.
What is LiTiNiO4 used for?
What is the band gap of LiTiNiO4?
Is LiTiNiO4 a metal, semiconductor, or insulator?
Is LiTiNiO4 thermodynamically stable?
What is the crystal structure of LiTiNiO4?
What is the density of LiTiNiO4?
How many polymorphs of LiTiNiO4 are known?
What elements does LiTiNiO4 contain?
Where does the data for LiTiNiO4 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the diverse landscape of layered lithium transition-metal oxides, LiTiNiO4 occupies a specialized niche compared to well-established commercial standards like LiCoO2 or LiNiO2. While those materials are widely utilized for their robust performance in battery cathodes, LiTiNiO4 is distinguished by its metastable nature, which differentiates its structural evolution and electrochemical reactivity from the more thermodynamically stable members of the class.
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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