Li3Ni3OF7
This inorganic compound is a complex lithium nickel oxyfluoride material studied primarily for its structural properties in solid-state chemistry. It is investigated for its potential role as a cathode material in advanced battery technologies.
Key Properties
Cross-validated computational properties for Li3Ni3OF7, 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 Li3Ni3OF7, 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. |
|---|---|---|---|---|---|
| R3m (No. 160) | trigonal | 3.68 | 0.0375 | -5.450 | 3.76 |
| R3m (No. 160) | — | — | — | — | — |
| R3m (No. 160) | Trigonal | — | — | — | 3.91 |
| R3m (No. 160) | Trigonal | — | — | — | 3.76 |
| R3m (No. 160) | Trigonal | — | — | — | 3.94 |
| R3m (No. 160) | — | — | — | — | — |
Applications
Where Li3Ni3OF7 is used.
Frequently Asked Questions
Common questions about Li3Ni3OF7, answered from cross-validated data.
What is Li3Ni3OF7?
This inorganic compound is a complex lithium nickel oxyfluoride material studied primarily for its structural properties in solid-state chemistry. It is investigated for its potential role as a cathode material in advanced battery technologies.
What is Li3Ni3OF7 used for?
What is the band gap of Li3Ni3OF7?
Is Li3Ni3OF7 a metal, semiconductor, or insulator?
Is Li3Ni3OF7 thermodynamically stable?
What is the crystal structure of Li3Ni3OF7?
What is the density of Li3Ni3OF7?
How many polymorphs of Li3Ni3OF7 are known?
What elements does Li3Ni3OF7 contain?
Where does the data for Li3Ni3OF7 come from?
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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
Analyze Li3Ni3OF7 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →