IMoO6Rb
IMoO6Rb is a stable, semiconducting quaternary inorganic compound containing iodine, molybdenum, oxygen, and rubidium.
About IMoO6Rb
IMoO6Rb is a complex inorganic compound composed of iodine, molybdenum, oxygen, and rubidium. As a thermodynamically stable phase located on the convex hull, it represents a well-defined structural arrangement that maintains integrity under standard conditions.
This material exhibits semiconducting electronic properties, making it an intriguing candidate for research into functional materials. Its unique combination of heavy elements and transition metal oxides suggests potential utility in specialized electronic or optoelectronic device development.
Key Properties
Cross-validated computational properties for IMoO6Rb, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of IMoO6Rb. 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.
Applications
Where IMoO6Rb is used.
Frequently Asked Questions
Common questions about IMoO6Rb, answered from cross-validated data.
What is IMoO6Rb?
IMoO6Rb is a stable, semiconducting quaternary inorganic compound containing iodine, molybdenum, oxygen, and rubidium.
What is IMoO6Rb used for?
What is the band gap of IMoO6Rb?
Is IMoO6Rb a metal, semiconductor, or insulator?
Is IMoO6Rb thermodynamically stable?
How many polymorphs of IMoO6Rb are known?
What elements does IMoO6Rb contain?
Where does the data for IMoO6Rb come from?
How It Compares
As a distinct quaternary compound, IMoO6Rb occupies a unique niche within inorganic materials science. It serves as a representative example of how complex stoichiometric combinations can achieve thermodynamic stability, providing a baseline for exploring the electronic behavior of similar rubidium-molybdenum-iodine systems.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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