Rb3P
Rb3P is a semiconducting rubidium phosphide compound that is characterized by its metastable nature and structural complexity.
About Rb3P
Rb3P is a binary phosphide composed of rubidium and phosphorus. As a semiconducting material, it represents a specialized chemical system that has been characterized across multiple structural configurations in various computational databases. Its electronic nature makes it a subject of interest for fundamental studies in solid-state chemistry.
Because this compound is found above the thermodynamic hull, it is considered inherently unstable under standard conditions. This metastability suggests that while it can be modeled and theoretically identified, its synthesis and long-term preservation present significant challenges compared to more robust, ground-state materials.
Key Properties
Cross-validated computational properties for Rb3P, aggregated across 3 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Rb3P. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for Rb3P, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.77 | 0.0000 | -0.259 | — |
| — | — | 0.00 | 0.0552 | -0.205 | — |
| Fm-3m (No. 225) | cubic | 0.42 | 0.1186 | -2.150 | 3.17 |
| — | — | 0.61 | 0.1221 | -0.138 | — |
| — | — | 0.50 | 0.1222 | -0.138 | — |
| — | — | 0.00 | 0.1550 | -0.105 | — |
| — | — | 0.00 | 0.2710 | 0.011 | — |
| Fm-3m (No. 225) | cubic | — | — | — | 3.25 |
| Fm-3m (No. 225) | cubic | — | — | — | 3.17 |
| Fm-3m (No. 225) | cubic | — | — | — | 3.36 |
Frequently Asked Questions
Common questions about Rb3P, answered from cross-validated data.
What is Rb3P?
Rb3P is a semiconducting rubidium phosphide compound that is characterized by its metastable nature and structural complexity.
What is the band gap of Rb3P?
Is Rb3P a metal, semiconductor, or insulator?
Is Rb3P thermodynamically stable?
What is the crystal structure of Rb3P?
How many polymorphs of Rb3P are known?
What elements does Rb3P contain?
Where does the data for Rb3P come from?
How It Compares
As a unique binary phosphide, Rb3P occupies a niche position in materials science where its semiconducting behavior is balanced against its thermodynamic instability. Without established siblings in this specific class, it serves as a primary example of how alkali metal phosphides can exhibit complex structural diversity despite being energetically unfavorable relative to their constituent elements.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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