Mg1Ru2Si1
Mg1Ru2Si1 is a semimetallic, metastable ternary alloy containing magnesium, ruthenium, and silicon.
About Mg1Ru2Si1
Mg1Ru2Si1 is a complex ternary alloy within the platinum-group catalyst family. It exhibits a semimetallic electronic character, placing it in a unique position between traditional metallic conductors and semiconducting materials.
Due to its position above the thermodynamic hull, this compound is considered metastable. Its structural complexity is highlighted by a significant number of reported configurations, making it a subject of interest for researchers studying the phase stability of ruthenium-based intermetallics.
Key Properties
Cross-validated computational properties for Mg1Ru2Si1, aggregated across 2 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 Mg1Ru2Si1, 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 | 0.02 | 3.0174 | -3.743 | 0.52 |
| F-43m (No. 216) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
Applications
Where Mg1Ru2Si1 is used.
Frequently Asked Questions
Common questions about Mg1Ru2Si1, answered from cross-validated data.
What is Mg1Ru2Si1?
Mg1Ru2Si1 is a semimetallic, metastable ternary alloy containing magnesium, ruthenium, and silicon.
What is Mg1Ru2Si1 used for?
What is the band gap of Mg1Ru2Si1?
Is Mg1Ru2Si1 a metal, semiconductor, or insulator?
Is Mg1Ru2Si1 thermodynamically stable?
What is the crystal structure of Mg1Ru2Si1?
What is the density of Mg1Ru2Si1?
How many polymorphs of Mg1Ru2Si1 are known?
What elements does Mg1Ru2Si1 contain?
Where does the data for Mg1Ru2Si1 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Unlike more stable, well-characterized members of the platinum-group alloy class such as GeRu or Ga2Ru, Mg1Ru2Si1 is distinguished by its metastable nature and specific ternary composition. While many siblings in this class are valued for their robust catalytic performance, this compound represents a more exotic, less thermodynamically favored variation that challenges standard alloy stability models.
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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