K2Mo3O10
K2Mo3O10 is a stable, insulating crystalline compound composed of potassium, molybdenum, and oxygen.
About K2Mo3O10
K2Mo3O10 is a complex oxide consisting of potassium, molybdenum, and oxygen. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement within the broader family of alkali metal molybdates.
This material functions as a wide-gap insulator, a characteristic that dictates its electronic behavior in solid-state systems. Its structural integrity makes it a subject of interest for researchers investigating the fundamental properties of ternary molybdenum oxides.
Key Properties
Cross-validated computational properties for K2Mo3O10, aggregated across 4 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 K2Mo3O10. 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 K2Mo3O10, 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. |
|---|---|---|---|---|---|
| — | — | 3.37 | 0.0000 | -2.284 | — |
| C2/c (No. 15) | monoclinic | 3.35 | 0.0000 | -7.719 | 3.61 |
| C2/c (No. 15) | monoclinic | — | — | — | 3.42 |
| C2/c (No. 15) | monoclinic | — | — | — | 3.72 |
| C2/c (No. 15) | monoclinic | — | — | — | 3.33 |
| C2/c (No. 15) | monoclinic | — | — | — | 3.64 |
Synthesis Routes
Literature-extracted synthesis procedures targeting K2Mo3O10.
Applications
Where K2Mo3O10 is used.
Frequently Asked Questions
Common questions about K2Mo3O10, answered from cross-validated data.
What is K2Mo3O10?
K2Mo3O10 is a stable, insulating crystalline compound composed of potassium, molybdenum, and oxygen.
What is K2Mo3O10 used for?
What is the band gap of K2Mo3O10?
Is K2Mo3O10 a metal, semiconductor, or insulator?
Is K2Mo3O10 thermodynamically stable?
What is the crystal structure of K2Mo3O10?
What is the density of K2Mo3O10?
How many polymorphs of K2Mo3O10 are known?
How is K2Mo3O10 synthesized?
What elements does K2Mo3O10 contain?
Where does the data for K2Mo3O10 come from?
How It Compares
As a stable member of the potassium molybdenum oxide system, K2Mo3O10 occupies a distinct position in the phase space of these ternary compounds, providing a reliable structural reference point for studies involving molybdenum-based oxides.
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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- 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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