MgNi
MgNi is a metallic intermetallic compound formed from magnesium and nickel that exhibits metastable structural characteristics.
About MgNi
MgNi is a metallic binary compound composed of magnesium and nickel. As a metastable phase, it represents a specific structural configuration within the magnesium-nickel alloy system, characterized by its conductive electronic nature and lack of a band gap.
This compound is of significant interest in materials science due to the diverse structural arrangements it can adopt. Its existence across multiple databases highlights its importance in understanding phase stability and the complex bonding behavior between alkaline earth metals and transition metals.
Key Properties
Cross-validated computational properties for MgNi, 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 MgNi. 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 MgNi, 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 | 0.0443 | -3.843 | 5.06 |
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.0457 | -3.841 | 5.05 |
| Pmma (No. 51) | orthorhombic | 0.00 | 0.0487 | -3.838 | 4.89 |
| R-3m (No. 166) | trigonal | 0.00 | 0.0583 | -3.829 | 4.84 |
| Pm-3m (No. 221) | Cubic | — | — | — | 4.87 |
| P4/nmm (No. 129) | Tetragonal | — | — | — | 4.57 |
| P4/nmm (No. 129) | Tetragonal | — | — | — | 4.92 |
| P4/nmm (No. 129) | Tetragonal | — | — | — | 5.09 |
| P2/c (No. 13) | Monoclinic | — | — | — | 3.36 |
| Pm-3m (No. 221) | Cubic | — | — | — | 5.06 |
| C2/m (No. 12) | Monoclinic | — | — | — | 2.91 |
| P6222 (No. 180) | hexagonal | — | — | — | 0.89 |
Applications
Where MgNi is used.
Frequently Asked Questions
Common questions about MgNi, answered from cross-validated data.
What is MgNi?
MgNi is a metallic intermetallic compound formed from magnesium and nickel that exhibits metastable structural characteristics.
What is MgNi used for?
What is the band gap of MgNi?
Is MgNi a metal, semiconductor, or insulator?
Is MgNi thermodynamically stable?
What is the crystal structure of MgNi?
What is the density of MgNi?
How many polymorphs of MgNi are known?
What elements does MgNi contain?
Where does the data for MgNi come from?
How It Compares
As a binary intermetallic, MgNi serves as a fundamental reference point for studying the interplay between magnesium and nickel. It occupies a distinct position in the alloy landscape, providing essential insights into the formation of metastable phases in systems where multiple stoichiometric configurations are possible.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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