V2NiO6
This compound is a mixed-metal oxide containing vanadium, nickel, and oxygen. It is primarily investigated in materials science research for its potential electrochemical properties and structural characteristics in advanced energy storage systems.
Key Properties
Cross-validated computational properties for V2NiO6, 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 V2NiO6, 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 | 2.12 | 0.0000 | -8.075 | 4.42 |
| C2/c (No. 15) | monoclinic | 2.70 | 0.0126 | -8.062 | 3.65 |
| Pbca (No. 61) | orthorhombic | 2.66 | 0.0522 | -8.023 | 2.92 |
| P1 (No. 1) | triclinic | 1.62 | 0.0531 | -8.022 | 4.19 |
| P1 (No. 1) | triclinic | 1.76 | 0.1034 | -7.971 | 4.20 |
| P1 (No. 1) | triclinic | 0.00 | 6.7940 | -1.281 | 4.19 |
| P1 (No. 1) | Triclinic | — | — | — | 4.20 |
| P1 (No. 1) | Triclinic | — | — | — | 4.63 |
| P1 (No. 1) | Triclinic | — | — | — | 4.34 |
| P1 (No. 1) | — | — | — | — | — |
| P-1 (No. 2) | Triclinic | — | — | — | 4.15 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.29 |
Applications
Where V2NiO6 is used.
Frequently Asked Questions
Common questions about V2NiO6, answered from cross-validated data.
What is V2NiO6?
This compound is a mixed-metal oxide containing vanadium, nickel, and oxygen. It is primarily investigated in materials science research for its potential electrochemical properties and structural characteristics in advanced energy storage systems.
What is V2NiO6 used for?
What is the band gap of V2NiO6?
Is V2NiO6 a metal, semiconductor, or insulator?
Is V2NiO6 thermodynamically stable?
What is the crystal structure of V2NiO6?
What is the density of V2NiO6?
How many polymorphs of V2NiO6 are known?
What elements does V2NiO6 contain?
Where does the data for V2NiO6 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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