MgCo2Si
MgCo2Si is a metastable semiconducting ternary compound composed of magnesium, cobalt, and silicon.
About MgCo2Si
MgCo2Si is a ternary compound composed of magnesium, cobalt, and silicon. As a semiconducting material, it exhibits electronic characteristics that distinguish it from purely metallic or insulating phases, making it a subject of interest for fundamental solid-state research.
This material is classified as metastable, indicating that it exists in a state that requires specific synthesis conditions to maintain its structure. With multiple reported structural variations across databases, it remains a significant candidate for studies regarding phase stability and electronic behavior in complex ternary systems.
Key Properties
Cross-validated computational properties for MgCo2Si, 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.
Reported Structures
Lowest-energy structures reported for MgCo2Si, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.00 | 0.0319 | -5.611 | 6.07 |
| Immm (No. 71) | orthorhombic | 0.36 | 2.5603 | -3.083 | 0.40 |
| Fm-3m (No. 225) | — | — | — | — | — |
| Fm-3m (No. 225) | Cubic | — | — | — | 6.07 |
| Fm-3m (No. 225) | Cubic | — | — | — | 6.53 |
| Fm-3m (No. 225) | Cubic | — | — | — | 6.30 |
Frequently Asked Questions
Common questions about MgCo2Si, answered from cross-validated data.
What is MgCo2Si?
MgCo2Si is a metastable semiconducting ternary compound composed of magnesium, cobalt, and silicon.
What is the band gap of MgCo2Si?
Is MgCo2Si a metal, semiconductor, or insulator?
Is MgCo2Si thermodynamically stable?
What is the crystal structure of MgCo2Si?
What is the density of MgCo2Si?
How many polymorphs of MgCo2Si are known?
What elements does MgCo2Si contain?
Where does the data for MgCo2Si come from?
How It Compares
As a unique ternary phase, MgCo2Si serves as a distinct example of how magnesium, cobalt, and silicon can organize into semiconducting frameworks. While it does not share its immediate class with other listed compounds, its metastable nature and structural diversity highlight the complex landscape of ternary silicides.
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.
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