Li7MgNi7O16
Li7MgNi7O16 is a semiconducting lithium-based transition-metal oxide that is potentially synthesizable for use in energy storage applications.
About Li7MgNi7O16
Li7MgNi7O16 belongs to the class of layered lithium transition-metal oxides, characterized by its semiconducting electronic structure. As a near-hull stable compound, it is considered a promising candidate for experimental synthesis and further investigation within the field of battery materials.
Its composition, incorporating magnesium and nickel, positions it as a complex oxide of interest for electrochemical applications. The material's structural flexibility and potential for ion mobility make it a subject of ongoing study for next-generation energy storage technologies.
Key Properties
Cross-validated computational properties for Li7MgNi7O16, 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 Li7MgNi7O16, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 0.45 | 0.0180 | -5.876 | 4.59 |
| C2 (No. 5) | monoclinic | 0.08 | 0.0584 | -5.835 | 4.59 |
| — | — | — | — | — | 4.46 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.59 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.61 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.72 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.61 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.59 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.68 |
Applications
Where Li7MgNi7O16 is used.
Frequently Asked Questions
Common questions about Li7MgNi7O16, answered from cross-validated data.
What is Li7MgNi7O16?
Li7MgNi7O16 is a semiconducting lithium-based transition-metal oxide that is potentially synthesizable for use in energy storage applications.
What is Li7MgNi7O16 used for?
What is the band gap of Li7MgNi7O16?
Is Li7MgNi7O16 a metal, semiconductor, or insulator?
Is Li7MgNi7O16 thermodynamically stable?
What is the crystal structure of Li7MgNi7O16?
What is the density of Li7MgNi7O16?
How many polymorphs of Li7MgNi7O16 are known?
What elements does Li7MgNi7O16 contain?
Where does the data for Li7MgNi7O16 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the diverse family of layered lithium transition-metal oxides, Li7MgNi7O16 represents a more complex stoichiometry compared to widely utilized industry standards like LiCoO2 or LiNiO2. While those established materials are primary benchmarks for cathode performance, this compound offers a unique elemental arrangement that distinguishes it from simpler oxides like LiAlO2 or the manganese-based LiMn2O4.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- mpaloe — Data from mpaloe.
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