NiMoO4
nickel molybdate · nickel(II) molybdate
Nickel molybdate is a crystalline inorganic compound that functions as a versatile metal oxide material. It is widely investigated for its electrochemical properties and its ability to facilitate various chemical reactions as a catalyst.
Key Properties
Cross-validated computational properties for nickel molybdate, 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 NiMoO4, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 0.00 | 0.0000 | -7.817 | 5.00 |
| P2/c (No. 13) | monoclinic | 0.00 | 0.0074 | -7.809 | 5.79 |
| P2/c (No. 13) | — | — | — | — | — |
| P2/c (No. 13) | Monoclinic | — | — | — | 5.46 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.32 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.72 |
| P2/c (No. 13) | Monoclinic | — | — | — | 5.68 |
| P2/c (No. 13) | Monoclinic | — | — | — | 6.15 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.88 |
| C2/m (No. 12) | — | — | — | — | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting NiMoO4.
Applications
Where nickel molybdate is used.
Frequently Asked Questions
Common questions about nickel molybdate, answered from cross-validated data.
What is NiMoO4?
Nickel molybdate is a crystalline inorganic compound that functions as a versatile metal oxide material. It is widely investigated for its electrochemical properties and its ability to facilitate various chemical reactions as a catalyst.
What is NiMoO4 used for?
What is the band gap of NiMoO4?
Is NiMoO4 a metal, semiconductor, or insulator?
Is NiMoO4 thermodynamically stable?
What is the crystal structure of NiMoO4?
What is the density of NiMoO4?
How many polymorphs of NiMoO4 are known?
How is NiMoO4 synthesized?
What elements does NiMoO4 contain?
Where does the data for NiMoO4 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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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