LaMgTl2
LaMgTl2 is a metallic ternary intermetallic compound formed from lanthanum, magnesium, and thallium that is considered likely to be synthesizable.
About LaMgTl2
LaMgTl2 is a metallic ternary intermetallic compound composed of lanthanum, magnesium, and thallium. Its electronic structure is characterized by a lack of a band gap, identifying it as a conductor, while its thermodynamic profile suggests it exists near the stability hull, making it a viable candidate for experimental synthesis.
This compound is of significant interest in solid-state chemistry due to the diversity of its structural arrangements. With multiple reported structures across various databases, it serves as a valuable subject for investigating complex bonding environments in ternary metal systems.
Key Properties
Cross-validated computational properties for LaMgTl2, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of LaMgTl2. 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 LaMgTl2, 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 | 0.0166 | -3.126 | 8.43 |
| — | — | — | — | — | 8.01 |
| No. 0 | unknown | — | — | — | 3.76 |
| — | — | — | — | — | 8.37 |
| — | — | — | — | — | 8.23 |
| — | — | — | — | — | 8.37 |
| — | — | — | — | — | 8.16 |
| Fm-3m (No. 225) | — | — | — | — | — |
| — | — | — | — | — | — |
Applications
Where LaMgTl2 is used.
Frequently Asked Questions
Common questions about LaMgTl2, answered from cross-validated data.
What is LaMgTl2?
LaMgTl2 is a metallic ternary intermetallic compound formed from lanthanum, magnesium, and thallium that is considered likely to be synthesizable.
What is LaMgTl2 used for?
What is the band gap of LaMgTl2?
Is LaMgTl2 a metal, semiconductor, or insulator?
Is LaMgTl2 thermodynamically stable?
What is the crystal structure of LaMgTl2?
What is the density of LaMgTl2?
How many polymorphs of LaMgTl2 are known?
What elements does LaMgTl2 contain?
Where does the data for LaMgTl2 come from?
How It Compares
As a unique ternary intermetallic phase, LaMgTl2 occupies a specific niche in materials science where the combination of rare-earth, alkaline-earth, and post-transition metal elements creates complex structural configurations. It represents a distinct point in the chemical space of lanthanum-magnesium-thallium systems, serving as a reference for understanding how these elements interact to form stable, metallic crystalline lattices.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- alexandria — Data from alexandria.
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