MgTl
MgTl is a thermodynamically stable metallic intermetallic compound composed of magnesium and thallium.
About MgTl
MgTl is a metallic intermetallic compound formed from magnesium and thallium. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement of its constituent elements. Its metallic nature suggests high electrical conductivity, making it a subject of interest for fundamental studies in alloy physics.
With numerous reported structures across major materials databases, this compound is well-documented in the scientific literature. Its stability and structural diversity provide researchers with a valuable model system for investigating the interactions between alkaline earth metals and heavy post-transition metals.
Key Properties
Cross-validated computational properties for MgTl, aggregated across 6 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 MgTl. 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 MgTl, 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. |
|---|---|---|---|---|---|
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.0000 | -0.049 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0000 | -2.018 | 7.89 |
| — | — | 0.00 | 0.0016 | -0.036 | — |
| — | — | 0.00 | 0.0030 | -0.034 | — |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.0084 | -0.041 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0091 | -0.040 | — |
| — | — | 0.00 | 0.0155 | -0.022 | — |
| — | — | 0.00 | 0.0220 | -0.015 | — |
| — | — | 0.00 | 0.0245 | -0.013 | — |
| — | — | 0.00 | 0.0253 | -0.012 | — |
| — | — | 0.00 | 0.0288 | -0.008 | — |
| — | — | 0.00 | 0.0313 | -0.006 | — |
Applications
Where MgTl is used.
Frequently Asked Questions
Common questions about MgTl, answered from cross-validated data.
What is MgTl?
MgTl is a thermodynamically stable metallic intermetallic compound composed of magnesium and thallium.
What is MgTl used for?
What is the band gap of MgTl?
Is MgTl a metal, semiconductor, or insulator?
Is MgTl thermodynamically stable?
What is the crystal structure of MgTl?
What is the density of MgTl?
How many polymorphs of MgTl are known?
What elements does MgTl contain?
Where does the data for MgTl come from?
How It Compares
As a thermodynamically stable intermetallic, MgTl serves as a foundational example of binary alloy formation within its class, demonstrating how magnesium and thallium can achieve a highly ordered and stable crystalline state.
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)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
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