K2MoO4
potassium molybdate · potassium molybdate(VI)
Potassium molybdate is a stable, insulating inorganic salt primarily used as a chemical precursor and reagent.
About potassium molybdate
Potassium molybdate is a stable inorganic salt that exists as a wide-gap insulator. Its structural integrity is well-documented, with multiple reported configurations that confirm its robust nature within the chemical landscape.
This compound serves as a critical precursor in the synthesis of various molybdenum-based materials. Due to its insulating properties and stability, it is frequently utilized in industrial chemical processes and as a specialized reagent in laboratory research.
Key Properties
Cross-validated computational properties for potassium molybdate, aggregated across 5 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 K2MoO4. 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 K2MoO4, 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 | 4.32 | 0.0000 | -6.904 | 3.14 |
| C2/m (No. 12) | monoclinic | 4.29 | 0.0000 | -2.329 | — |
| — | — | 4.26 | 0.0000 | -2.333 | — |
| — | — | 4.51 | 0.0242 | -2.308 | — |
| — | — | 4.54 | 0.0460 | -2.287 | — |
| — | — | 4.54 | 0.0601 | -2.272 | — |
| C2/m (No. 12) | monoclinic | — | — | — | 3.10 |
| C2/m (No. 12) | monoclinic | — | — | — | 3.20 |
| C2/m (No. 12) | monoclinic | — | — | — | 2.93 |
| C2/m (No. 12) | monoclinic | — | — | — | 3.01 |
Synthesis Routes
Literature-extracted synthesis procedures targeting K2MoO4.
Applications
Where potassium molybdate is used.
Frequently Asked Questions
Common questions about potassium molybdate, answered from cross-validated data.
What is K2MoO4?
Potassium molybdate is a stable, insulating inorganic salt primarily used as a chemical precursor and reagent.
What is K2MoO4 used for?
What is the band gap of K2MoO4?
Is K2MoO4 a metal, semiconductor, or insulator?
Is K2MoO4 thermodynamically stable?
What is the crystal structure of K2MoO4?
What is the density of K2MoO4?
How many polymorphs of K2MoO4 are known?
How is K2MoO4 synthesized?
What elements does K2MoO4 contain?
Where does the data for K2MoO4 come from?
How It Compares
As a standalone representative of its class, potassium molybdate functions as a foundational inorganic salt. Its position on the convex hull highlights its thermodynamic favorability, making it a reliable starting point for high-performance chemical applications compared to less stable molybdenum-containing compounds.
Data sources & attribution
- 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)
- 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)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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