V2NiO7
V2NiO7 is a semiconducting nickel-vanadium oxide being studied for its potential utility in oxygen-evolution catalytic processes.
About V2NiO7
V2NiO7 is a semiconducting oxide that belongs to the broader class of oxygen-evolution catalysts. Its composition, featuring nickel and vanadium, positions it as an intriguing candidate for catalytic studies where electronic structure plays a critical role in surface reaction kinetics.
While the material is characterized as being above the thermodynamic hull, it remains a subject of interest in materials science due to its unique structural configurations. Researchers utilize such compounds to explore the limits of stability and catalytic activity in complex metal oxide systems.
Key Properties
Cross-validated computational properties for V2NiO7, 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 V2NiO7, 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 | 0.1953 | -7.567 | 3.04 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.04 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.35 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.16 |
| No. 0 | unknown | — | — | — | 1.60 |
Applications
Where V2NiO7 is used.
Frequently Asked Questions
Common questions about V2NiO7, answered from cross-validated data.
What is V2NiO7?
V2NiO7 is a semiconducting nickel-vanadium oxide being studied for its potential utility in oxygen-evolution catalytic processes.
What is V2NiO7 used for?
What is the band gap of V2NiO7?
Is V2NiO7 a metal, semiconductor, or insulator?
Is V2NiO7 thermodynamically stable?
What is the crystal structure of V2NiO7?
What is the density of V2NiO7?
How many polymorphs of V2NiO7 are known?
What elements does V2NiO7 contain?
Where does the data for V2NiO7 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Unlike highly stable and widely utilized benchmarks such as NiO or the layered lithium-based oxides like LiNiO2 and LiCoO2, V2NiO7 represents a more exotic and less thermodynamically robust entry within the oxygen-evolution catalyst family. While perovskite-structured materials like LaNiO3 and LaMnO3 are frequently studied for their structural stability and performance, V2NiO7 serves as a specialized case for investigating metastable phases in electrochemical applications.
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.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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