K4Mo8O26
K4Mo8O26 is an insulating potassium molybdate compound that is considered a viable candidate for synthesis due to its favorable thermodynamic stability.
About K4Mo8O26
K4Mo8O26 is a complex potassium molybdate characterized by its wide-band-gap insulating electronic profile. As a material that sits near the thermodynamic hull, it is considered a promising candidate for experimental synthesis and structural characterization within the broader family of polyoxomolybdates.
This compound represents an intriguing target for researchers investigating solid-state chemistry and oxide frameworks. Its stability profile suggests it can be successfully accessed in the laboratory, providing a platform to study the coordination chemistry of molybdenum and potassium in oxygen-rich environments.
Key Properties
Cross-validated computational properties for K4Mo8O26, 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 K4Mo8O26, 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. |
|---|---|---|---|---|---|
| Pbca (No. 61) | orthorhombic | 2.99 | 0.0039 | -7.847 | 3.87 |
| P-1 (No. 2) | triclinic | 3.14 | 0.0099 | -7.841 | 3.95 |
| P-1 (No. 2) | triclinic | 0.00 | 4.3286 | -3.522 | 3.65 |
| — | — | — | — | — | 3.01 |
| No. 0 | unknown | — | — | — | 1.99 |
| No. 0 | unknown | — | — | — | 0.52 |
Applications
Where K4Mo8O26 is used.
Frequently Asked Questions
Common questions about K4Mo8O26, answered from cross-validated data.
What is K4Mo8O26?
K4Mo8O26 is an insulating potassium molybdate compound that is considered a viable candidate for synthesis due to its favorable thermodynamic stability.
What is K4Mo8O26 used for?
What is the band gap of K4Mo8O26?
Is K4Mo8O26 a metal, semiconductor, or insulator?
Is K4Mo8O26 thermodynamically stable?
What is the crystal structure of K4Mo8O26?
What is the density of K4Mo8O26?
How many polymorphs of K4Mo8O26 are known?
What elements does K4Mo8O26 contain?
Where does the data for K4Mo8O26 come from?
How It Compares
As a member of the diverse family of potassium molybdates, this compound serves as a distinct structural variant that highlights the flexibility of molybdenum-oxygen polyhedra. It occupies a unique niche in the landscape of complex oxides, offering a specific stoichiometry that differentiates it from simpler binary or ternary molybdenum oxides.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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