Mn2N
Mn2N is a thermodynamically stable, metallic manganese nitride known for its structural diversity and potential in advanced materials research.
About Mn2N
Mn2N is a metallic manganese nitride that occupies a stable position on the thermodynamic convex hull. Its electronic character is defined by its metallic nature, lacking a band gap, which makes it a subject of significant interest for researchers studying transition metal nitrides. The material is characterized by a high degree of structural complexity, as evidenced by the numerous reported structures found across various databases. This diversity in atomic arrangement highlights its versatility and the potential for tuning its properties through synthesis methods. As a stable phase, it serves as a foundational material for investigating the interplay between nitrogen incorporation and the magnetic or electronic behavior of manganese-based systems.
Key Properties
Cross-validated computational properties for Mn2N, 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 Mn2N. 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.
Reported Structures
Lowest-energy structures reported for Mn2N, 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. |
|---|---|---|---|---|---|
| Pbcn (No. 60) | orthorhombic | 0.00 | 0.0000 | -0.334 | — |
| — | — | 0.00 | 0.0000 | -0.357 | — |
| Pbcn (No. 60) | orthorhombic | 0.00 | 0.0000 | -13.267 | 6.84 |
| — | — | 0.00 | 0.0289 | -0.328 | — |
| P-3m1 (No. 164) | trigonal | 0.00 | 0.0702 | -13.197 | 6.77 |
| — | — | 0.00 | 0.9168 | 0.560 | — |
| — | — | 0.00 | 2.0417 | 1.685 | — |
| P-1 (No. 2) | triclinic | — | — | — | 4.51 |
| P1 (No. 1) | triclinic | — | — | — | 5.44 |
| P1 (No. 1) | triclinic | — | — | — | 5.67 |
| P1 (No. 1) | triclinic | — | — | — | 7.67 |
| P1 (No. 1) | triclinic | — | — | — | 6.82 |
Applications
Where Mn2N is used.
Frequently Asked Questions
Common questions about Mn2N, answered from cross-validated data.
What is Mn2N?
Mn2N is a thermodynamically stable, metallic manganese nitride known for its structural diversity and potential in advanced materials research.
What is Mn2N used for?
What is the band gap of Mn2N?
Is Mn2N a metal, semiconductor, or insulator?
Is Mn2N thermodynamically stable?
What is the crystal structure of Mn2N?
How many polymorphs of Mn2N are known?
What elements does Mn2N contain?
Where does the data for Mn2N come from?
How It Compares
As a thermodynamically stable member of the manganese nitride family, Mn2N represents a robust phase that maintains structural integrity under standard conditions. While it stands as a distinct compound within the broader landscape of transition metal nitrides, its metallic electronic character distinguishes it from insulating or semiconducting nitride counterparts, positioning it as a key candidate for applications requiring high electrical conductivity.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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