K8Mo8O44P8
K8Mo8O44P8 is a stable, semiconducting potassium molybdenum phosphate used in advanced materials research.
About K8Mo8O44P8
K8Mo8O44P8 is a complex inorganic compound composed of potassium, molybdenum, oxygen, and phosphorus. As a thermodynamically stable material situated on the convex hull, it represents a robust structural arrangement that is well-defined within its chemical system. Its electronic character as a semiconductor makes it a subject of interest for researchers investigating functional materials with tunable conductivity. The existence of multiple reported structures across databases underscores its significance as a versatile building block in solid-state chemistry. It is primarily studied for its potential roles in electronic or catalytic applications where stable, complex oxide frameworks are required to facilitate specific chemical or physical processes.
Key Properties
Cross-validated computational properties for K8Mo8O44P8, 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.
Reported Structures
Lowest-energy structures reported for K8Mo8O44P8, 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. |
|---|---|---|---|---|---|
| P21 (No. 4) | monoclinic | 2.43 | 0.0000 | -7.686 | 3.28 |
| Pbcn (No. 60) | orthorhombic | 0.77 | 0.0624 | -7.624 | 3.53 |
| No. 0 | unknown | — | — | — | 0.92 |
| Pbcn (No. 60) | — | — | — | — | — |
| — | — | — | — | — | 3.28 |
Applications
Where K8Mo8O44P8 is used.
Frequently Asked Questions
Common questions about K8Mo8O44P8, answered from cross-validated data.
What is K8Mo8O44P8?
K8Mo8O44P8 is a stable, semiconducting potassium molybdenum phosphate used in advanced materials research.
What is K8Mo8O44P8 used for?
What is the band gap of K8Mo8O44P8?
Is K8Mo8O44P8 a metal, semiconductor, or insulator?
Is K8Mo8O44P8 thermodynamically stable?
What is the crystal structure of K8Mo8O44P8?
What is the density of K8Mo8O44P8?
How many polymorphs of K8Mo8O44P8 are known?
What elements does K8Mo8O44P8 contain?
Where does the data for K8Mo8O44P8 come from?
How It Compares
As a unique complex phosphate, K8Mo8O44P8 serves as a distinct representative of its chemical family. While it stands as a singular entity in this context, its stability and semiconducting nature position it as a foundational reference point for exploring the broader landscape of molybdenum-based polyanionic frameworks.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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