Mg2Y2
Mg2Y2 is a stable metallic intermetallic compound formed from magnesium and yttrium.
About Mg2Y2
Mg2Y2 is a metallic intermetallic compound composed of magnesium and yttrium. As a thermodynamically stable phase located on the convex hull, it represents a robust structural configuration that maintains integrity under standard conditions. Its metallic character suggests significant potential for electron transport and interaction within complex material systems.
Given the high volume of reported structures across multiple databases, this compound is a subject of significant interest in solid-state chemistry. Its ability to form stable phases makes it a valuable candidate for exploring alloy design and the fundamental physics of binary metallic systems.
Key Properties
Cross-validated computational properties for Mg2Y2, aggregated across 5 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 Mg2Y2, 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. |
|---|---|---|---|---|---|
| Pm-3m (No. 221) | cubic | 0.00 | 0.0000 | -4.144 | 3.40 |
| Pmma (No. 51) | orthorhombic | 0.00 | 0.0037 | -4.140 | 3.44 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0860 | -4.058 | 3.33 |
| Amm2 (No. 38) | orthorhombic | 0.00 | 0.0878 | -4.056 | 3.37 |
| Amm2 (No. 38) | orthorhombic | 0.00 | 0.1052 | -4.039 | 3.33 |
| Cm (No. 8) | monoclinic | 0.00 | 0.1083 | -4.036 | 3.35 |
| Cm (No. 8) | monoclinic | 0.00 | 0.1257 | -4.018 | 3.30 |
| C2 (No. 5) | monoclinic | 0.00 | 0.1283 | -4.016 | 3.37 |
| Amm2 (No. 38) | orthorhombic | 0.00 | 0.1323 | -4.012 | 3.36 |
| Pmmn (No. 59) | orthorhombic | 0.00 | 0.1386 | -4.006 | 3.28 |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.1401 | -4.004 | 3.29 |
| R-3m (No. 166) | trigonal | 0.00 | 0.1458 | -3.998 | 3.26 |
Applications
Where Mg2Y2 is used.
Frequently Asked Questions
Common questions about Mg2Y2, answered from cross-validated data.
What is Mg2Y2?
Mg2Y2 is a stable metallic intermetallic compound formed from magnesium and yttrium.
What is Mg2Y2 used for?
What is the band gap of Mg2Y2?
Is Mg2Y2 a metal, semiconductor, or insulator?
Is Mg2Y2 thermodynamically stable?
What is the crystal structure of Mg2Y2?
What is the density of Mg2Y2?
How many polymorphs of Mg2Y2 are known?
What elements does Mg2Y2 contain?
Where does the data for Mg2Y2 come from?
How It Compares
As a thermodynamically stable binary intermetallic, Mg2Y2 serves as a foundational reference point for understanding the phase behavior of magnesium-yttrium systems, providing a benchmark for stability and structural complexity in metallic alloys.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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