Mg6SiSn2
Mg6SiSn2 is a semimetallic magnesium-based intermetallic compound that is theoretically stable and potentially synthesizable.
About Mg6SiSn2
Mg6SiSn2 is a complex intermetallic compound composed of magnesium, silicon, and tin. Its electronic structure is characterized as a near-zero-gap semimetal, placing it in a unique position between traditional semiconductors and metallic conductors.
This material is considered to be near the thermodynamic hull, suggesting that it is likely synthesizable under appropriate experimental conditions. With multiple reported structures across major databases, it remains a subject of interest for researchers investigating multi-element magnesium-based systems.
Key Properties
Cross-validated computational properties for Mg6SiSn2, aggregated across 3 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 Mg6SiSn2. 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 Mg6SiSn2, 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. |
|---|---|---|---|---|---|
| Immm (No. 71) | orthorhombic | 0.06 | 0.0118 | -0.231 | — |
| Immm (No. 71) | orthorhombic | 0.01 | 0.0119 | -2.716 | 3.07 |
| Immm (No. 71) | orthorhombic | — | — | — | 3.15 |
| Immm (No. 71) | orthorhombic | — | — | — | 3.07 |
| Immm (No. 71) | orthorhombic | — | — | — | 3.14 |
Applications
Where Mg6SiSn2 is used.
Frequently Asked Questions
Common questions about Mg6SiSn2, answered from cross-validated data.
What is Mg6SiSn2?
Mg6SiSn2 is a semimetallic magnesium-based intermetallic compound that is theoretically stable and potentially synthesizable.
What is Mg6SiSn2 used for?
What is the band gap of Mg6SiSn2?
Is Mg6SiSn2 a metal, semiconductor, or insulator?
Is Mg6SiSn2 thermodynamically stable?
What is the crystal structure of Mg6SiSn2?
How many polymorphs of Mg6SiSn2 are known?
What elements does Mg6SiSn2 contain?
Where does the data for Mg6SiSn2 come from?
How It Compares
As a specialized intermetallic phase, Mg6SiSn2 represents a distinct combination of group 14 elements with magnesium. While it does not belong to a broad, widely-categorized family of materials, its semimetallic nature makes it a notable candidate for studies focused on electronic tuning and structural stability in ternary magnesium alloys.
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)
- 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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