Mo3N2
Mo3N2 is a metallic molybdenum nitride compound known for its structural complexity and metastable nature.
About Mo3N2
Mo3N2 is a metallic molybdenum nitride characterized by its lack of a band gap, placing it firmly within the category of conductive transition metal nitrides. Its electronic structure suggests potential utility in applications requiring high electrical conductivity and catalytic activity, though its synthesis remains a significant challenge due to its energetic profile.
This compound is notable for its high structural diversity, with numerous reported configurations across various databases. Despite being positioned above the thermodynamic hull, it remains an object of intense research interest for those studying the phase stability of transition metal nitrides under non-equilibrium conditions.
Key Properties
Cross-validated computational properties for Mo3N2, 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 Mo3N2, 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. |
|---|---|---|---|---|---|
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.5718 | -9.708 | 7.43 |
| Cm (No. 8) | Monoclinic | — | — | — | 5.60 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 9.23 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.83 |
| P1 (No. 1) | Triclinic | — | — | — | 11.85 |
| C2/m (No. 12) | Monoclinic | — | — | — | 10.97 |
| C2/m (No. 12) | Monoclinic | — | — | — | 6.73 |
| C2/m (No. 12) | Monoclinic | — | — | — | 12.82 |
| C2/m (No. 12) | Monoclinic | — | — | — | 8.90 |
| P-4m2 (No. 115) | Tetragonal | — | — | — | 8.91 |
| P4/mmm (No. 123) | — | — | — | — | — |
| P-1 (No. 2) | Triclinic | — | — | — | 6.77 |
Applications
Where Mo3N2 is used.
Frequently Asked Questions
Common questions about Mo3N2, answered from cross-validated data.
What is Mo3N2?
Mo3N2 is a metallic molybdenum nitride compound known for its structural complexity and metastable nature.
What is Mo3N2 used for?
What is the band gap of Mo3N2?
Is Mo3N2 a metal, semiconductor, or insulator?
Is Mo3N2 thermodynamically stable?
What is the crystal structure of Mo3N2?
What is the density of Mo3N2?
How many polymorphs of Mo3N2 are known?
What elements does Mo3N2 contain?
Where does the data for Mo3N2 come from?
How It Compares
As a member of the diverse family of molybdenum nitrides, Mo3N2 occupies a unique space where structural complexity meets metallic behavior. Unlike more stable, stoichiometric phases, this compound represents a metastable state that provides critical insight into the synthesis pathways and structural variations possible within the molybdenum-nitrogen system.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
Analyze Mo3N2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →