Ba2Pb
Barium plumbide is an intermetallic compound composed of barium and lead. It is primarily studied in the context of solid-state chemistry and materials science research regarding its structural and electronic properties.
BaPb
Overview
Key Properties
Cross-validated computational properties for Ba2Pb, 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.
0.03 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
17
3 databases, 5 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Ba2Pb, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 0.03 | 0.0000 | -3.058 | 5.82 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 5.91 |
| Pnma (No. 62) | — | — | — | — | — |
| P-1 (No. 2) | Triclinic | — | — | — | 2.92 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.59 |
| P-6m2 (No. 187) | Hexagonal | — | — | — | 7.57 |
| P1 (No. 1) | Triclinic | — | — | — | 4.18 |
| P1 (No. 1) | Triclinic | — | — | — | 3.51 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 5.92 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.62 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.03 |
| P-1 (No. 2) | Triclinic | — | — | — | 6.14 |
Uses
Applications
Where Ba2Pb is used.
Materials science researchSolid-state physics studies
Reference
Frequently Asked Questions
Common questions about Ba2Pb, answered from cross-validated data.
What is Ba2Pb?
Barium plumbide is an intermetallic compound composed of barium and lead. It is primarily studied in the context of solid-state chemistry and materials science research regarding its structural and electronic properties.
More questions
What is Ba2Pb used for?
Ba2Pb is used in materials science research and solid-state physics studies.
What is the band gap of Ba2Pb?
Ba2Pb has a DFT-computed band gap of 0.03 eV across 17 reported structures.
Is Ba2Pb a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Ba2Pb thermodynamically stable?
Yes — Ba2Pb sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Ba2Pb?
The lowest-energy reported polymorph of Ba2Pb is orthorhombic symmetry, space group Pnma (No. 62).
What is the density of Ba2Pb?
The computed density of the ground-state structure of Ba2Pb is 5.82 g/cm³.
How many polymorphs of Ba2Pb are known?
17 structures of Ba2Pb are reported across 3 databases, spanning 5 distinct space groups.
What elements does Ba2Pb contain?
Ba2Pb contains Ba and Pb (2 elements).
Where does the data for Ba2Pb come from?
Ba2Pb data is cross-referenced from materials_project, mpaloe, jarvis.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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