MgNi3
Magnesium trinickel is an intermetallic compound that has been studied for its unique structural properties and potential in superconducting research. It is primarily utilized in academic and laboratory settings to investigate the behavior of metallic systems under various physical conditions.
Key Properties
Cross-validated computational properties for MgNi3, 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.
Reported Structures
Lowest-energy structures reported for MgNi3, 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 | 0.0936 | -4.807 | 6.88 |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0947 | -4.806 | 6.82 |
| I4/mmm (No. 139) | tetragonal | 0.00 | 0.1159 | -4.785 | 6.85 |
| Pm-3m (No. 221) | — | — | — | — | — |
| Pm-3m (No. 221) | Cubic | — | — | — | 6.88 |
| P63/mmc (No. 194) | — | — | — | — | — |
| — | — | — | — | — | 6.72 |
| I4/mmm (No. 139) | — | — | — | — | — |
| Pm-3m (No. 221) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 7.02 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 7.06 |
Applications
Where MgNi3 is used.
Frequently Asked Questions
Common questions about MgNi3, answered from cross-validated data.
What is MgNi3?
Magnesium trinickel is an intermetallic compound that has been studied for its unique structural properties and potential in superconducting research. It is primarily utilized in academic and laboratory settings to investigate the behavior of metallic systems under various physical conditions.
What is MgNi3 used for?
What is the band gap of MgNi3?
Is MgNi3 a metal, semiconductor, or insulator?
Is MgNi3 thermodynamically stable?
What is the crystal structure of MgNi3?
What is the density of MgNi3?
How many polymorphs of MgNi3 are known?
What elements does MgNi3 contain?
Where does the data for MgNi3 come from?
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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