P4Pb4Rb4S16
P4Pb4Rb4S16 is a thermodynamically stable, semiconducting quaternary sulfide compound containing phosphorus, lead, rubidium, and sulfur.
About P4Pb4Rb4S16
P4Pb4Rb4S16 is a complex quaternary sulfide compound composed of phosphorus, lead, rubidium, and sulfur. As a thermodynamically stable material situated on the convex hull, it represents a robust structural arrangement within its chemical system.
This compound exhibits semiconducting electronic character, making it a subject of interest for researchers investigating electronic and optoelectronic material properties. Its existence across multiple structural databases highlights its significance in solid-state chemistry.
Key Properties
Cross-validated computational properties for P4Pb4Rb4S16, 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 P4Pb4Rb4S16, 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. |
|---|---|---|---|---|---|
| P212121 (No. 19) | orthorhombic | 2.37 | 0.0000 | -4.779 | 3.79 |
| Pnma (No. 62) | orthorhombic | 2.32 | 0.0046 | -4.774 | 3.84 |
| Pnma (No. 62) | — | — | — | — | — |
| — | — | — | — | — | 3.74 |
| No. 0 | unknown | — | — | — | 1.01 |
Applications
Where P4Pb4Rb4S16 is used.
Frequently Asked Questions
Common questions about P4Pb4Rb4S16, answered from cross-validated data.
What is P4Pb4Rb4S16?
P4Pb4Rb4S16 is a thermodynamically stable, semiconducting quaternary sulfide compound containing phosphorus, lead, rubidium, and sulfur.
What is P4Pb4Rb4S16 used for?
What is the band gap of P4Pb4Rb4S16?
Is P4Pb4Rb4S16 a metal, semiconductor, or insulator?
Is P4Pb4Rb4S16 thermodynamically stable?
What is the crystal structure of P4Pb4Rb4S16?
What is the density of P4Pb4Rb4S16?
How many polymorphs of P4Pb4Rb4S16 are known?
What elements does P4Pb4Rb4S16 contain?
Where does the data for P4Pb4Rb4S16 come from?
How It Compares
As a unique quaternary sulfide, P4Pb4Rb4S16 serves as a distinct example of how alkali metals and heavy p-block elements can integrate into stable, semiconducting chalcogenide frameworks. It functions as a foundational study in the design of complex, multi-element semiconductors.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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