DyPO4
dysprosium orthophosphate · dysprosium phosphate
DyPO4 is a stable, insulating rare-earth phosphate compound used in advanced material research.
About dysprosium orthophosphate
Dysprosium orthophosphate is a robust, thermodynamically stable inorganic compound characterized by its insulating electronic nature. As a member of the rare-earth phosphate family, it exhibits high structural integrity, making it a reliable candidate for specialized ceramic and optical applications.
Its stability on the convex hull underscores its potential for long-term performance in demanding environments. Researchers value this material for its predictable behavior and the unique magnetic contributions provided by the dysprosium cation within the phosphate framework.
Key Properties
Cross-validated computational properties for dysprosium orthophosphate, aggregated across 2 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 DyPO4. 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 DyPO4, 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. |
|---|---|---|---|---|---|
| I41/amd (No. 141) | tetragonal | 6.24 | 0.0000 | -3.209 | — |
| — | — | 6.17 | 0.0000 | -3.366 | — |
| I41/amd (No. 141) | tetragonal | 5.89 | 0.0000 | -8.474 | 6.01 |
| — | — | 6.17 | 0.0005 | -3.366 | — |
| — | — | 6.21 | 0.0487 | -3.317 | — |
| — | — | 0.00 | 0.0859 | -3.280 | — |
| — | — | 4.87 | 0.0904 | -3.276 | — |
| — | — | 5.25 | 0.0956 | -3.270 | — |
| I41/amd (No. 141) | tetragonal | — | — | — | 5.94 |
Synthesis Routes
Literature-extracted synthesis procedures targeting DyPO4.
Applications
Where dysprosium orthophosphate is used.
Frequently Asked Questions
Common questions about dysprosium orthophosphate, answered from cross-validated data.
What is DyPO4?
DyPO4 is a stable, insulating rare-earth phosphate compound used in advanced material research.
What is DyPO4 used for?
What is the band gap of DyPO4?
Is DyPO4 a metal, semiconductor, or insulator?
Is DyPO4 thermodynamically stable?
What is the crystal structure of DyPO4?
How many polymorphs of DyPO4 are known?
How is DyPO4 synthesized?
What elements does DyPO4 contain?
Where does the data for DyPO4 come from?
How It Compares
As a stable rare-earth orthophosphate, DyPO4 represents a foundational example of this material class, serving as a benchmark for understanding how lanthanide-based phosphates maintain structural stability while providing specific electronic and magnetic functionalities.
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)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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