PPb
PPb is a metastable, metallic binary compound of phosphorus and lead that exhibits significant structural diversity.
About PPb
PPb is a binary compound composed of phosphorus and lead that exhibits metallic electronic behavior. Its structural landscape is notably diverse, with a high number of reported configurations across various databases, highlighting the complexity of its bonding environment.
As a material that sits above the thermodynamic stability hull, PPb represents a metastable phase that challenges conventional synthesis pathways. Its metallic nature and structural variety make it a compelling subject for researchers investigating the limits of phosphorus-lead chemical bonding.
Key Properties
Cross-validated computational properties for PPb, aggregated across 4 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 PPb, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 0.00 | 0.1435 | -32.518 | 7.67 |
| P21/m (No. 11) | Monoclinic | — | — | — | 8.08 |
| Cmm2 (No. 35) | Orthorhombic | — | — | — | 6.57 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 5.23 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 5.08 |
| P2/m (No. 10) | Monoclinic | — | — | — | 6.73 |
| P2/c (No. 13) | Monoclinic | — | — | — | 8.45 |
| P2/c (No. 13) | Monoclinic | — | — | — | 8.52 |
| P21/c (No. 14) | Monoclinic | — | — | — | 7.67 |
| P21/c (No. 14) | Monoclinic | — | — | — | 7.77 |
| P21/c (No. 14) | Monoclinic | — | — | — | 7.75 |
| P1 (No. 1) | Triclinic | — | — | — | 7.32 |
Frequently Asked Questions
Common questions about PPb, answered from cross-validated data.
What is PPb?
PPb is a metastable, metallic binary compound of phosphorus and lead that exhibits significant structural diversity.
What is the band gap of PPb?
Is PPb a metal, semiconductor, or insulator?
Is PPb thermodynamically stable?
What is the crystal structure of PPb?
What is the density of PPb?
How many polymorphs of PPb are known?
What elements does PPb contain?
Where does the data for PPb come from?
How It Compares
As a unique binary system without direct structural analogues in this specific dataset, PPb stands as a distinct case study in metastable metallic phosphides, offering a different structural profile compared to more stable, naturally occurring binary compounds.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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