MgPb3
Magnesium trilead is an intermetallic compound composed of magnesium and lead. It is primarily studied in the field of materials science for its structural properties and its behavior in alloy systems.
MgPb
Overview
Key Properties
Cross-validated computational properties for MgPb3, 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.
0.012 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.
Near hull (likely stable)
4 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
25
5 databases, 6 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for MgPb3, 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. |
|---|---|---|---|---|---|
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.0121 | -3.194 | 9.29 |
| I4/mmm (No. 139) | tetragonal | 0.00 | 0.0344 | -3.171 | 9.31 |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0542 | -3.152 | 9.27 |
| — | — | — | — | — | 9.12 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 9.07 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 9.36 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 9.09 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 9.34 |
| P-6m2 (No. 187) | Hexagonal | — | — | — | 8.98 |
| I4/mmm (No. 139) | — | — | — | — | — |
| P-6m2 (No. 187) | Hexagonal | — | — | — | 9.39 |
| P-1 (No. 2) | Triclinic | — | — | — | 6.52 |
Uses
Applications
Where MgPb3 is used.
Materials science researchAlloy development studies
Reference
Frequently Asked Questions
Common questions about MgPb3, answered from cross-validated data.
What is MgPb3?
Magnesium trilead is an intermetallic compound composed of magnesium and lead. It is primarily studied in the field of materials science for its structural properties and its behavior in alloy systems.
More questions
What is MgPb3 used for?
MgPb3 is used in materials science research and alloy development studies.
What is the band gap of MgPb3?
MgPb3 is computed to be metallic (no band gap) in the reported DFT structures.
Is MgPb3 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is MgPb3 thermodynamically stable?
MgPb3 has a lowest energy above hull of 0.012 eV/atom (near hull (likely stable)).
What is the crystal structure of MgPb3?
The lowest-energy reported polymorph of MgPb3 is hexagonal symmetry, space group P-6m2 (No. 187).
What is the density of MgPb3?
The computed density of the ground-state structure of MgPb3 is 9.29 g/cm³.
How many polymorphs of MgPb3 are known?
25 structures of MgPb3 are reported across 5 databases, spanning 6 distinct space groups.
What elements does MgPb3 contain?
MgPb3 contains Mg and Pb (2 elements).
Where does the data for MgPb3 come from?
MgPb3 data is cross-referenced from materials_project, omat24, mpaloe, nomad, jarvis.
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).
- mpaloe — Data from mpaloe.
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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