Ba2Pb1Zn1
Ba2Pb1Zn1 is a metastable, semiconducting ternary intermetallic compound containing barium, lead, and zinc.
About Ba2Pb1Zn1
Ba2Pb1Zn1 is a ternary intermetallic compound composed of barium, lead, and zinc. It exhibits semiconducting electronic behavior, marking it as a unique candidate for specialized electronic research within the broader landscape of complex metal systems.
Due to its position above the thermodynamic hull, this material is considered metastable. Its structural diversity is highlighted by numerous reported configurations, reflecting the complex bonding environments possible when combining these specific metallic elements.
Key Properties
Cross-validated computational properties for Ba2Pb1Zn1, aggregated across 2 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 Ba2Pb1Zn1, 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 | 0.11 | 1.5851 | -1.067 | 0.50 |
| Pmm2 (No. 25) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Ba2Pb1Zn1, answered from cross-validated data.
What is Ba2Pb1Zn1?
Ba2Pb1Zn1 is a metastable, semiconducting ternary intermetallic compound containing barium, lead, and zinc.
What is the band gap of Ba2Pb1Zn1?
Is Ba2Pb1Zn1 a metal, semiconductor, or insulator?
Is Ba2Pb1Zn1 thermodynamically stable?
What is the crystal structure of Ba2Pb1Zn1?
What is the density of Ba2Pb1Zn1?
How many polymorphs of Ba2Pb1Zn1 are known?
What elements does Ba2Pb1Zn1 contain?
Where does the data for Ba2Pb1Zn1 come from?
How It Compares
As a member of the ternary barium-lead-zinc system, Ba2Pb1Zn1 represents an intriguing structural arrangement that deviates from simpler binary alloys. While it lacks direct siblings in this specific data set, its existence as a metastable phase underscores the synthetic challenges and structural variety inherent in these multi-component intermetallic systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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