NiO2F
Nickel dioxide fluoride is an inorganic compound that has been studied for its potential role in advanced electrochemical energy storage systems. It is primarily investigated as a cathode material due to its ability to facilitate ion transport and participate in redox reactions.
Key Properties
Cross-validated computational properties for NiO2F, 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 NiO2F, 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. |
|---|---|---|---|---|---|
| Pca21 (No. 29) | orthorhombic | 0.68 | 0.3760 | -4.817 | 3.28 |
| Cm (No. 8) | Monoclinic | — | — | — | 5.88 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.08 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.35 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 4.94 |
| P1 (No. 1) | — | — | — | — | — |
| P-3m1 (No. 164) | Trigonal | — | — | — | 6.50 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 4.47 |
Applications
Where NiO2F is used.
Frequently Asked Questions
Common questions about NiO2F, answered from cross-validated data.
What is NiO2F?
Nickel dioxide fluoride is an inorganic compound that has been studied for its potential role in advanced electrochemical energy storage systems. It is primarily investigated as a cathode material due to its ability to facilitate ion transport and participate in redox reactions.
What is NiO2F used for?
What is the band gap of NiO2F?
Is NiO2F a metal, semiconductor, or insulator?
Is NiO2F thermodynamically stable?
What is the crystal structure of NiO2F?
What is the density of NiO2F?
How many polymorphs of NiO2F are known?
What elements does NiO2F contain?
Where does the data for NiO2F come from?
Related Compounds
Other Oxide Oxygen-Evolution Catalysts 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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