MnNi
MnNi is a thermodynamically stable metallic compound composed of manganese and nickel that is frequently studied for its structural and magnetic properties.
About MnNi
MnNi is a metallic intermetallic compound formed from manganese and nickel. It is characterized by its thermodynamic stability, sitting directly on the convex hull, which indicates a robust energetic state that facilitates its formation and persistence in various processing conditions.
Due to its metallic nature, this compound is primarily investigated for its magnetic and structural properties in alloy research. Its high data richness, supported by numerous reported structures, highlights its significance as a model system for understanding binary transition metal interactions.
Key Properties
Cross-validated computational properties for MnNi, aggregated across 5 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 MnNi. 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 MnNi, 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. |
|---|---|---|---|---|---|
| Pm-3m (No. 221) | cubic | 0.00 | 0.0000 | -13.695 | 7.62 |
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.0369 | -13.658 | 7.63 |
| — | — | 0.00 | 0.0395 | -0.035 | — |
| — | — | 0.00 | 0.0439 | -0.030 | — |
| — | — | 0.00 | 0.0615 | -0.013 | — |
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.0940 | 0.034 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.1015 | 0.041 | — |
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.1018 | 0.041 | — |
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.1018 | 0.041 | — |
| Cmmm (No. 65) | orthorhombic | 0.00 | 0.1238 | -13.571 | 7.71 |
| R-3m (No. 166) | trigonal | 0.00 | 0.1476 | 0.087 | — |
| — | — | 0.00 | 0.1612 | 0.087 | — |
Applications
Where MnNi is used.
Frequently Asked Questions
Common questions about MnNi, answered from cross-validated data.
What is MnNi?
MnNi is a thermodynamically stable metallic compound composed of manganese and nickel that is frequently studied for its structural and magnetic properties.
What is MnNi used for?
What is the band gap of MnNi?
Is MnNi a metal, semiconductor, or insulator?
Is MnNi thermodynamically stable?
What is the crystal structure of MnNi?
What is the density of MnNi?
How many polymorphs of MnNi are known?
What elements does MnNi contain?
Where does the data for MnNi come from?
How It Compares
As a stable binary intermetallic, MnNi serves as a foundational reference point for studying the phase behavior and magnetic interactions within manganese-nickel systems, providing essential insights into how these transition metals organize at the atomic scale.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- 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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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