Mg2Si3
Mg2Si3 is a metallic magnesium-silicon compound characterized by its structural complexity and potential relevance to the development of next-generation battery anode materials.
About Mg2Si3
Mg2Si3 is a metallic silicon-based compound that exists within a complex landscape of magnesium-silicon phases. Its electronic character and structural diversity make it a subject of interest for researchers investigating new pathways for high-capacity energy storage materials.
Despite its status as a metastable phase, the compound is supported by a significant number of reported structures across multiple databases. This data richness highlights its role as a potential intermediate or transient phase during the lithiation or magnesiation processes in advanced battery anodes.
Key Properties
Cross-validated computational properties for Mg2Si3, 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.
Reported Structures
Lowest-energy structures reported for Mg2Si3, 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. |
|---|---|---|---|---|---|
| P1 (No. 1) | triclinic | 0.00 | 0.1565 | -3.816 | 2.26 |
| P-1 (No. 2) | triclinic | 0.00 | 0.1773 | -3.795 | 2.28 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.1804 | -3.792 | 2.48 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.1804 | -3.792 | 2.29 |
| P-1 (No. 2) | triclinic | 0.00 | 0.1816 | -3.791 | 2.49 |
| P-1 (No. 2) | triclinic | 0.00 | 0.1911 | -3.781 | 2.44 |
| Cm (No. 8) | monoclinic | 0.00 | 0.1937 | -3.779 | 2.28 |
| Cm (No. 8) | monoclinic | 0.00 | 0.2023 | -3.770 | 2.28 |
| Cm (No. 8) | monoclinic | 0.00 | 0.2046 | -3.768 | 2.44 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.2060 | -3.767 | 2.49 |
| P-1 (No. 2) | triclinic | 0.00 | 0.2065 | -3.766 | 2.37 |
| P-1 (No. 2) | triclinic | 0.00 | 0.2072 | -3.765 | 2.33 |
Applications
Where Mg2Si3 is used.
Frequently Asked Questions
Common questions about Mg2Si3, answered from cross-validated data.
What is Mg2Si3?
Mg2Si3 is a metallic magnesium-silicon compound characterized by its structural complexity and potential relevance to the development of next-generation battery anode materials.
What is Mg2Si3 used for?
What is the band gap of Mg2Si3?
Is Mg2Si3 a metal, semiconductor, or insulator?
Is Mg2Si3 thermodynamically stable?
What is the crystal structure of Mg2Si3?
What is the density of Mg2Si3?
How many polymorphs of Mg2Si3 are known?
What elements does Mg2Si3 contain?
Where does the data for Mg2Si3 come from?
How It Compares
Within the silicon anode materials class.
Within the broader family of silicon anode materials, Mg2Si3 occupies a distinct position compared to more thermodynamically stable counterparts like Mg2Si or pure Si. While materials like FeSi or MoSi2 are often studied for their structural robustness, Mg2Si3 represents a more elusive, metastable configuration that challenges current understanding of phase stability in magnesium-silicon systems.
Related Compounds
Other Silicon Anode Materials in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
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