LaTl
LaTl is a thermodynamically stable metallic intermetallic compound formed from lanthanum and thallium.
About LaTl
LaTl is a metallic intermetallic compound composed of lanthanum and thallium. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement of its constituent elements. Its metallic nature suggests high electrical conductivity, typical of lanthanide-based binary systems.
With a high degree of data richness and numerous reported structures across multiple databases, this compound serves as a significant subject for structural analysis. Its stability makes it an important reference point for understanding the bonding behavior and phase formation between rare-earth metals and post-transition metals.
Key Properties
Cross-validated computational properties for LaTl, 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 LaTl. 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 LaTl, 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 | -4.072 | 9.09 |
| P1 (No. 1) | Triclinic | — | — | — | 5.73 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.73 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.06 |
| Pm-3m (No. 221) | Cubic | — | — | — | 9.09 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.21 |
| Pm-3m (No. 221) | Cubic | — | — | — | 8.95 |
| Pm-3m (No. 221) | Cubic | — | — | — | 9.17 |
| — | — | — | — | — | 8.78 |
| — | — | — | — | — | 8.78 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 4.28 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 5.07 |
Applications
Where LaTl is used.
Frequently Asked Questions
Common questions about LaTl, answered from cross-validated data.
What is LaTl?
LaTl is a thermodynamically stable metallic intermetallic compound formed from lanthanum and thallium.
What is LaTl used for?
What is the band gap of LaTl?
Is LaTl a metal, semiconductor, or insulator?
Is LaTl thermodynamically stable?
What is the crystal structure of LaTl?
What is the density of LaTl?
How many polymorphs of LaTl are known?
What elements does LaTl contain?
Where does the data for LaTl come from?
How It Compares
As a stable binary intermetallic, LaTl serves as a fundamental example of lanthanum-thallium chemistry. It occupies a well-defined position in the landscape of binary alloys, providing a baseline for structural and electronic studies where thermodynamic stability is a primary consideration.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- 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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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