MnWO4
Hübnerite · Huebnerite
MnWO4 is a stable semiconducting manganese tungstate oxide utilized for its catalytic activity in oxygen-evolution reactions.
About Hübnerite
MnWO4 is a thermodynamically stable semiconducting oxide that plays a significant role in the study of oxygen-evolution catalysts. Its presence on the convex hull underscores its structural integrity and reliability for long-term catalytic applications.
As a member of the transition metal tungstate family, this compound is valued for its electronic properties which facilitate efficient charge transfer during electrochemical processes. Its robust nature makes it a subject of interest for researchers focused on improving the efficiency of water-splitting technologies.
Key Properties
Cross-validated computational properties for Hübnerite, aggregated across 2 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of MnWO4. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for MnWO4, 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. |
|---|---|---|---|---|---|
| — | — | 2.08 | 0.0000 | -2.422 | — |
| P2/c (No. 13) | monoclinic | 1.56 | 0.0000 | -9.202 | 7.31 |
| — | — | 2.06 | 0.0012 | -2.421 | — |
| P2/c (No. 13) | monoclinic | 0.00 | 0.0255 | -2.070 | — |
| P2/c (No. 13) | monoclinic | 0.00 | 0.0255 | -2.070 | — |
| P2/c (No. 13) | monoclinic | 0.00 | 0.0300 | -2.066 | — |
| P2/c (No. 13) | monoclinic | 0.03 | 0.0342 | -2.062 | — |
| P2/c (No. 13) | monoclinic | 0.00 | 0.0345 | -2.061 | — |
| — | — | 2.89 | 0.0375 | -2.384 | — |
| — | — | 1.83 | 0.0589 | -2.363 | — |
| I-4m2 (No. 119) | tetragonal | 0.34 | 0.0672 | -9.135 | 5.98 |
| — | — | 2.78 | 0.0720 | -2.350 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting MnWO4.
Applications
Where Hübnerite is used.
Frequently Asked Questions
Common questions about Hübnerite, answered from cross-validated data.
What is MnWO4?
MnWO4 is a stable semiconducting manganese tungstate oxide utilized for its catalytic activity in oxygen-evolution reactions.
What is MnWO4 used for?
What is the band gap of MnWO4?
Is MnWO4 a metal, semiconductor, or insulator?
Is MnWO4 thermodynamically stable?
What is the crystal structure of MnWO4?
What is the density of MnWO4?
How many polymorphs of MnWO4 are known?
How is MnWO4 synthesized?
What elements does MnWO4 contain?
Where does the data for MnWO4 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Unlike the layered lithium-based oxides such as LiCoO2 or LiNiO2 which are primarily optimized for battery cathode performance, MnWO4 functions as a distinct catalytic material. While perovskite-structured oxides like LaMnO3 are widely recognized for their surface reactivity, MnWO4 offers a different structural framework that provides unique active sites for oxygen evolution, distinguishing it from the more common spinel or perovskite members of this catalyst class.
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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