K6Mo4O21U2
K6Mo4O21U2 is a stable, semiconducting quaternary oxide containing potassium, molybdenum, oxygen, and uranium.
About K6Mo4O21U2
K6Mo4O21U2 is a complex quaternary oxide incorporating potassium, molybdenum, oxygen, and uranium. As a thermodynamically stable phase residing on the convex hull, it represents a well-defined structural arrangement within its chemical system.
This material exhibits semiconducting electronic behavior, making it a subject of interest for researchers investigating the interplay between transition metals and actinides in solid-state frameworks. Its existence across multiple reported structures highlights its significance in fundamental materials exploration.
Key Properties
Cross-validated computational properties for K6Mo4O21U2, 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 K6Mo4O21U2, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 2.17 | 0.0000 | -7.899 | 3.95 |
| — | — | — | — | — | 3.72 |
| — | — | — | — | — | 3.72 |
| — | — | — | — | — | 3.72 |
| P-1 (No. 2) | — | — | — | — | — |
Frequently Asked Questions
Common questions about K6Mo4O21U2, answered from cross-validated data.
What is K6Mo4O21U2?
K6Mo4O21U2 is a stable, semiconducting quaternary oxide containing potassium, molybdenum, oxygen, and uranium.
What is the band gap of K6Mo4O21U2?
Is K6Mo4O21U2 a metal, semiconductor, or insulator?
Is K6Mo4O21U2 thermodynamically stable?
What is the crystal structure of K6Mo4O21U2?
What is the density of K6Mo4O21U2?
How many polymorphs of K6Mo4O21U2 are known?
What elements does K6Mo4O21U2 contain?
Where does the data for K6Mo4O21U2 come from?
How It Compares
As a unique quaternary oxide, K6Mo4O21U2 occupies a distinct niche in solid-state chemistry, serving as a stable reference point for understanding the structural diversity of uranium-molybdenum-based frameworks.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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