Mo2N3
Mo2N3 is a metallic molybdenum nitride that exists as a metastable phase with a wide variety of documented structural configurations.
About Mo2N3
Mo2N3 is a metallic molybdenum nitride characterized by its high structural complexity. With numerous reported structures across databases, it represents a significant area of study for researchers exploring the diverse bonding environments between molybdenum and nitrogen atoms. Its metallic nature suggests potential utility in applications requiring high electrical conductivity, though its status as a metastable phase presents unique challenges for synthesis. Because it sits above the thermodynamic hull, this compound is often investigated in the context of thin-film deposition or specialized high-pressure environments where kinetic stabilization can be achieved. Understanding its formation pathways is critical for advancing the development of advanced nitride-based materials.
Key Properties
Cross-validated computational properties for Mo2N3, 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 Mo2N3. 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 Mo2N3 is used.
Frequently Asked Questions
Common questions about Mo2N3, answered from cross-validated data.
What is Mo2N3?
Mo2N3 is a metallic molybdenum nitride that exists as a metastable phase with a wide variety of documented structural configurations.
What is Mo2N3 used for?
What is the band gap of Mo2N3?
Is Mo2N3 a metal, semiconductor, or insulator?
Is Mo2N3 thermodynamically stable?
How many polymorphs of Mo2N3 are known?
What elements does Mo2N3 contain?
Where does the data for Mo2N3 come from?
How It Compares
As a distinct molybdenum nitride, Mo2N3 occupies a unique position within the broader family of transition metal nitrides. Unlike more common, thermodynamically stable phases, this compound serves as an intriguing example of a metastable material that researchers analyze to better understand the limits of phase stability and structural diversity in nitrogen-rich molybdenum systems.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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