SbPO5
SbPO5 is a thermodynamically stable, semiconducting inorganic compound composed of antimony, phosphorus, and oxygen.
About SbPO5
SbPO5 is a thermodynamically stable inorganic compound that resides on the convex hull, indicating significant structural robustness. As a semiconducting material, it offers a distinct electronic profile that makes it a subject of interest for researchers investigating complex oxide systems. Its presence across multiple structural databases highlights its well-defined nature in solid-state chemistry. The material is characterized by its balanced composition of antimony, phosphorus, and oxygen. Its stable configuration suggests potential for applications where consistent electronic behavior and structural integrity are required under varying environmental conditions.
Key Properties
Cross-validated computational properties for SbPO5, 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 SbPO5. 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 SbPO5, 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. |
|---|---|---|---|---|---|
| — | — | 3.04 | 0.0000 | -2.094 | — |
| C2/c (No. 15) | monoclinic | 2.75 | 0.0000 | -1.827 | — |
| C2/c (No. 15) | monoclinic | 2.56 | 0.0000 | -7.155 | 4.46 |
| — | — | 2.34 | 0.0128 | -2.081 | — |
| — | — | 3.04 | 0.0217 | -2.072 | — |
| Fddd (No. 70) | orthorhombic | 2.36 | 0.0402 | -1.787 | — |
| Fddd (No. 70) | orthorhombic | 2.36 | 0.0402 | -1.787 | — |
| Fdd2 (No. 43) | orthorhombic | 2.22 | 0.0456 | -7.109 | 4.35 |
| — | — | 2.15 | 0.0678 | -2.026 | — |
| C2/c (No. 15) | monoclinic | — | — | — | 4.47 |
| C2/c (No. 15) | monoclinic | — | — | — | 4.42 |
| C2/c (No. 15) | monoclinic | — | — | — | 4.68 |
Applications
Where SbPO5 is used.
Frequently Asked Questions
Common questions about SbPO5, answered from cross-validated data.
What is SbPO5?
SbPO5 is a thermodynamically stable, semiconducting inorganic compound composed of antimony, phosphorus, and oxygen.
What is SbPO5 used for?
What is the band gap of SbPO5?
Is SbPO5 a metal, semiconductor, or insulator?
Is SbPO5 thermodynamically stable?
What is the crystal structure of SbPO5?
How many polymorphs of SbPO5 are known?
What elements does SbPO5 contain?
Where does the data for SbPO5 come from?
How It Compares
As a unique inorganic compound, SbPO5 represents a distinct structural arrangement within the broader landscape of antimony-based phosphates. While it stands as a singular entry in this context, its position on the convex hull marks it as a highly stable reference point for future studies into similar semiconducting phosphate frameworks.
Data sources & attribution
- 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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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