La3Tl
La3Tl is a thermodynamically stable metallic intermetallic compound consisting of lanthanum and thallium.
About La3Tl
La3Tl is a metallic intermetallic compound formed from lanthanum and thallium. As a thermodynamically stable phase located on the convex hull, it represents a robust configuration of these elements that maintains structural integrity under standard conditions.
This material is characterized by its distinct metallic electronic nature, indicating the presence of delocalized electrons that contribute to its conductivity. With numerous reported structures across various scientific databases, it serves as a significant subject for researchers investigating the complex phase behaviors of rare-earth thallides.
Key Properties
Cross-validated computational properties for La3Tl, 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 La3Tl, 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 | -4.533 | 7.82 |
| I4/mmm (No. 139) | tetragonal | 0.00 | 0.0196 | -4.513 | 7.91 |
| Pnma (No. 62) | — | — | — | — | — |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 7.88 |
| Pm-3m (No. 221) | Cubic | — | — | — | 7.83 |
| Pm-3m (No. 221) | Cubic | — | — | — | 7.87 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 7.93 |
| — | — | — | — | — | 7.84 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 7.94 |
| Pm-3m (No. 221) | Cubic | — | — | — | 7.85 |
| — | — | — | — | — | 7.88 |
| P-3m1 (No. 164) | — | — | — | — | — |
Applications
Where La3Tl is used.
Frequently Asked Questions
Common questions about La3Tl, answered from cross-validated data.
What is La3Tl?
La3Tl is a thermodynamically stable metallic intermetallic compound consisting of lanthanum and thallium.
What is La3Tl used for?
What is the band gap of La3Tl?
Is La3Tl a metal, semiconductor, or insulator?
Is La3Tl thermodynamically stable?
What is the crystal structure of La3Tl?
What is the density of La3Tl?
How many polymorphs of La3Tl are known?
What elements does La3Tl contain?
Where does the data for La3Tl come from?
How It Compares
As a stable intermetallic phase, La3Tl serves as a representative example of lanthanum-based binary compounds that exhibit metallic bonding. It occupies a well-defined position in the structural landscape of its chemical family, reflecting the predictable thermodynamic stability often sought in the design of new metallic alloys.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- mpaloe — Data from mpaloe.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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