Hg3Pb
This intermetallic compound is composed of mercury and lead. It is primarily studied in the context of materials science and condensed matter physics to understand the structural and electronic properties of mercury-based alloys.
HgPb
Overview
Key Properties
Cross-validated computational properties for Hg3Pb, 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.
Metallic / not reported
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.
0.068 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.
Metastable
4 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
8
5 databases, 3 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Hg3Pb, 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. |
|---|---|---|---|---|---|
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0683 | -51.029 | 12.77 |
| Pm-3m (No. 221) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 12.23 |
| — | — | — | — | — | 12.38 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 12.73 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 12.79 |
| P63/mmc (No. 194) | — | — | — | — | — |
Uses
Applications
Where Hg3Pb is used.
Materials science researchFundamental physics studies
Reference
Frequently Asked Questions
Common questions about Hg3Pb, answered from cross-validated data.
What is Hg3Pb?
This intermetallic compound is composed of mercury and lead. It is primarily studied in the context of materials science and condensed matter physics to understand the structural and electronic properties of mercury-based alloys.
More questions
What is Hg3Pb used for?
Hg3Pb is used in materials science research and fundamental physics studies.
What is the band gap of Hg3Pb?
Hg3Pb is computed to be metallic (no band gap) in the reported DFT structures.
Is Hg3Pb a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is Hg3Pb thermodynamically stable?
Hg3Pb has a lowest energy above hull of 0.068 eV/atom (metastable).
What is the crystal structure of Hg3Pb?
The lowest-energy reported polymorph of Hg3Pb is hexagonal symmetry, space group P63/mmc (No. 194).
What is the density of Hg3Pb?
The computed density of the ground-state structure of Hg3Pb is 12.77 g/cm³.
How many polymorphs of Hg3Pb are known?
8 structures of Hg3Pb are reported across 5 databases, spanning 3 distinct space groups.
What elements does Hg3Pb contain?
Hg3Pb contains Hg and Pb (2 elements).
Where does the data for Hg3Pb come from?
Hg3Pb data is cross-referenced from materials_project, nomad, mpaloe, omat24, jarvis.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- 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).
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