RbPO3
RbPO3 is a thermodynamically stable, insulating rubidium phosphate compound frequently studied for its diverse structural configurations.
About RbPO3
RbPO3 is a stable phosphate compound characterized by its wide-band-gap insulating electronic profile. Its position on the convex hull confirms its thermodynamic stability, making it a reliable subject for structural analysis within the broader family of alkali metal phosphates.
With numerous reported structures across multiple databases, this compound serves as a key reference for understanding the coordination chemistry of rubidium within phosphate frameworks. Its insulating nature and structural versatility make it a valuable candidate for fundamental research into inorganic solid-state materials.
Key Properties
Cross-validated computational properties for RbPO3, 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 RbPO3. 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 RbPO3, 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 | 5.58 | 0.0000 | -2.373 | — |
| — | — | 5.29 | 0.0000 | -2.564 | — |
| P21/c (No. 14) | monoclinic | 5.11 | 0.0000 | -6.929 | 3.31 |
| P21/c (No. 14) | monoclinic | 4.85 | 0.0025 | -6.927 | 3.07 |
| — | — | 5.56 | 0.0062 | -2.558 | — |
| Pnma (No. 62) | orthorhombic | 4.77 | 0.0116 | -6.917 | 3.11 |
| — | — | 5.26 | 0.0117 | -2.553 | — |
| — | — | 5.45 | 0.0226 | -2.542 | — |
| Cmcm (No. 63) | orthorhombic | 4.53 | 0.0518 | -6.877 | 2.76 |
| — | — | 4.91 | 0.0523 | -2.512 | — |
| — | — | 5.51 | 0.0591 | -2.505 | — |
| — | — | 5.36 | 0.0632 | -2.501 | — |
Applications
Where RbPO3 is used.
Frequently Asked Questions
Common questions about RbPO3, answered from cross-validated data.
What is RbPO3?
RbPO3 is a thermodynamically stable, insulating rubidium phosphate compound frequently studied for its diverse structural configurations.
What is RbPO3 used for?
What is the band gap of RbPO3?
Is RbPO3 a metal, semiconductor, or insulator?
Is RbPO3 thermodynamically stable?
What is the crystal structure of RbPO3?
How many polymorphs of RbPO3 are known?
What elements does RbPO3 contain?
Where does the data for RbPO3 come from?
How It Compares
As a member of the alkali metal phosphate family, RbPO3 represents a stable, well-characterized crystalline phase that provides essential data for mapping the structural landscape of ternary oxides.
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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