BaPbTl2
BaPbTl2 is a semimetallic ternary compound of barium, lead, and thallium that exhibits structural complexity despite its thermodynamic instability.
About BaPbTl2
BaPbTl2 is a complex ternary intermetallic compound composed of barium, lead, and thallium. It exhibits a near-zero-gap electronic character, placing it in the semimetallic regime where conduction and valence bands meet at the Fermi level.
Due to its thermodynamic position above the hull, this material is considered likely unstable under standard conditions. Despite this, it remains a subject of interest for researchers investigating the structural diversity of heavy-element intermetallics, with multiple distinct structural configurations documented across various databases.
Key Properties
Cross-validated computational properties for BaPbTl2, aggregated across 3 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 BaPbTl2, 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. |
|---|---|---|---|---|---|
| Immm (No. 71) | orthorhombic | 0.07 | 1.4819 | -1.433 | 0.59 |
| — | — | — | — | — | 9.07 |
| Cm (No. 8) | — | — | — | — | — |
| — | — | — | — | — | 8.69 |
Frequently Asked Questions
Common questions about BaPbTl2, answered from cross-validated data.
What is BaPbTl2?
BaPbTl2 is a semimetallic ternary compound of barium, lead, and thallium that exhibits structural complexity despite its thermodynamic instability.
What is the band gap of BaPbTl2?
Is BaPbTl2 a metal, semiconductor, or insulator?
Is BaPbTl2 thermodynamically stable?
What is the crystal structure of BaPbTl2?
What is the density of BaPbTl2?
How many polymorphs of BaPbTl2 are known?
What elements does BaPbTl2 contain?
Where does the data for BaPbTl2 come from?
How It Compares
As a unique ternary phase, BaPbTl2 represents a specialized case within the broader landscape of barium-based intermetallics. Without direct structural siblings in this specific chemical family, it serves as an important data point for understanding the complex bonding interactions between alkaline earth metals and heavy p-block elements.
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).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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