Li4MgNi3O8
Li4MgNi3O8 is a semiconducting layered oxide material being studied for its potential utility in next-generation lithium-ion battery cathode applications.
About Li4MgNi3O8
Li4MgNi3O8 is a complex layered lithium transition-metal oxide that belongs to a critical family of materials used in electrochemical energy storage. Its semiconducting electronic character and structural configuration make it a subject of interest for researchers aiming to optimize ion mobility and structural integrity in battery systems.
As a material positioned near the thermodynamic hull, this compound is considered a viable candidate for experimental synthesis. Its unique arrangement of lithium, magnesium, and nickel within an oxygen framework provides a distinct platform for investigating the effects of cation substitution on electrochemical performance.
Key Properties
Cross-validated computational properties for Li4MgNi3O8, aggregated across 2 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 Li4MgNi3O8, 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 | 0.33 | 0.0105 | -5.851 | 4.25 |
| P2/c (No. 13) | monoclinic | 0.23 | 0.0117 | -5.849 | 4.26 |
| C2/m (No. 12) | monoclinic | 0.76 | 0.0127 | -5.848 | 4.27 |
| R-3m (No. 166) | trigonal | 0.00 | 0.0191 | -5.842 | 4.28 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.28 |
| P2/c (No. 13) | Monoclinic | — | — | — | 4.26 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.52 |
| P2/c (No. 13) | Monoclinic | — | — | — | 4.52 |
| P2/c (No. 13) | Monoclinic | — | — | — | 4.42 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.51 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.43 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.27 |
Applications
Where Li4MgNi3O8 is used.
Frequently Asked Questions
Common questions about Li4MgNi3O8, answered from cross-validated data.
What is Li4MgNi3O8?
Li4MgNi3O8 is a semiconducting layered oxide material being studied for its potential utility in next-generation lithium-ion battery cathode applications.
What is Li4MgNi3O8 used for?
What is the band gap of Li4MgNi3O8?
Is Li4MgNi3O8 a metal, semiconductor, or insulator?
Is Li4MgNi3O8 thermodynamically stable?
What is the crystal structure of Li4MgNi3O8?
What is the density of Li4MgNi3O8?
How many polymorphs of Li4MgNi3O8 are known?
What elements does Li4MgNi3O8 contain?
Where does the data for Li4MgNi3O8 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the diverse class of layered lithium transition-metal oxides, Li4MgNi3O8 serves as an intriguing alternative to industry standards like LiCoO2 and LiNiO2. While those materials are widely utilized for their high capacity, the inclusion of magnesium in this structure offers a different approach to stabilizing the host lattice compared to the manganese-based variants like Li5Mn3O8 or Li3Mn4O8.
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.
Analyze Li4MgNi3O8 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →