Mg3Sn
magnesium stannide · trimagnesium stannide
Magnesium stannide is a metallic intermetallic compound formed from magnesium and tin that is recognized as a stable, synthesizable material.
About magnesium stannide
Magnesium stannide is a metallic intermetallic compound composed of magnesium and tin. Its electronic character is defined by its metallic nature, lacking a band gap, which distinguishes it from semiconducting or insulating materials in the broader alloy landscape.
As a near-hull material, it is considered thermodynamically stable and is recognized as a synthesizable phase. Its prominence in material databases suggests it is an important subject for structural studies and metallurgical investigations.
Key Properties
Cross-validated computational properties for magnesium stannide, 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 Mg3Sn. 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 Mg3Sn, 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. |
|---|---|---|---|---|---|
| — | — | 0.00 | 0.0050 | -0.162 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0092 | -2.341 | 3.62 |
| — | — | 0.00 | 0.0312 | -0.136 | — |
| — | — | 0.00 | 0.0322 | -0.135 | — |
| P63/m (No. 176) | hexagonal | 0.00 | 0.0362 | -2.314 | 3.48 |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0470 | -2.304 | 3.60 |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0497 | -0.143 | — |
| I4/mmm (No. 139) | tetragonal | 0.00 | 0.0500 | -2.301 | 3.55 |
| — | — | 0.00 | 0.0550 | -0.112 | — |
| — | — | 0.00 | 0.0706 | -0.096 | — |
| — | — | 0.00 | 0.0725 | -0.094 | — |
| I4/mmm (No. 139) | tetragonal | 0.00 | 0.0779 | -0.115 | — |
Applications
Where magnesium stannide is used.
Frequently Asked Questions
Common questions about magnesium stannide, answered from cross-validated data.
What is Mg3Sn?
Magnesium stannide is a metallic intermetallic compound formed from magnesium and tin that is recognized as a stable, synthesizable material.
What is Mg3Sn used for?
What is the band gap of Mg3Sn?
Is Mg3Sn a metal, semiconductor, or insulator?
Is Mg3Sn thermodynamically stable?
What is the crystal structure of Mg3Sn?
What is the density of Mg3Sn?
How many polymorphs of Mg3Sn are known?
What elements does Mg3Sn contain?
Where does the data for Mg3Sn come from?
How It Compares
As a distinct intermetallic phase, magnesium stannide serves as a fundamental example of magnesium-tin binary systems, providing a baseline for understanding the structural and electronic behavior of magnesium-rich alloys.
Data sources & attribution
- 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)
- 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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