BaPb3
BaPb3 is a thermodynamically stable metallic compound formed from barium and lead.
About BaPb3
BaPb3 is a metallic intermetallic compound composed of barium and lead. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement of these elements that remains consistent across various experimental and computational datasets.
Its metallic character defines its electronic behavior, making it a subject of interest for researchers studying the fundamental properties of alkaline-earth lead systems. With numerous reported structures, it serves as a well-documented reference point for understanding phase stability and bonding in this specific binary chemical space.
Key Properties
Cross-validated computational properties for BaPb3, 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 BaPb3, 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. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 0.00 | 0.0000 | -3.637 | 9.11 |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0319 | -3.605 | 9.37 |
| Pm-3m (No. 221) | — | — | — | — | — |
| Pmmm (No. 47) | Orthorhombic | — | — | — | 7.93 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 8.82 |
| Pm-3m (No. 221) | Cubic | — | — | — | 9.16 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 9.17 |
| C2 (No. 5) | Monoclinic | — | — | — | 7.96 |
| P4/mmm (No. 123) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| Pm-3m (No. 221) | Cubic | — | — | — | 9.46 |
| Pm-3m (No. 221) | Cubic | — | — | — | 9.43 |
Applications
Where BaPb3 is used.
Frequently Asked Questions
Common questions about BaPb3, answered from cross-validated data.
What is BaPb3?
BaPb3 is a thermodynamically stable metallic compound formed from barium and lead.
What is BaPb3 used for?
What is the band gap of BaPb3?
Is BaPb3 a metal, semiconductor, or insulator?
Is BaPb3 thermodynamically stable?
What is the crystal structure of BaPb3?
What is the density of BaPb3?
How many polymorphs of BaPb3 are known?
What elements does BaPb3 contain?
Where does the data for BaPb3 come from?
How It Compares
As a stable intermetallic phase, BaPb3 occupies a distinct position within binary barium-lead systems, serving as a benchmark for structural reliability and thermodynamic equilibrium in this class of metallic compounds.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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