PrPO4
praseodymium orthophosphate · praseodymium phosphate
Praseodymium orthophosphate is a rare-earth phosphate compound that typically crystallizes in a monazite-type structure. It is primarily investigated for its potential in advanced materials science, including its role as a host material for luminescence and as a candidate for the immobilization of radioactive waste.
Key Properties
Cross-validated computational properties for praseodymium orthophosphate, 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 PrPO4, 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 | 5.65 | 0.0000 | -8.444 | 5.25 |
| I41/amd (No. 141) | tetragonal | 5.47 | 0.0287 | -8.415 | 4.91 |
| P21/c (No. 14) | — | — | — | — | — |
| I41/amd (No. 141) | — | — | — | — | — |
| Pm (No. 6) | Monoclinic | — | — | — | 4.86 |
| Cm (No. 8) | Monoclinic | — | — | — | 6.16 |
| No. 0 | unknown | — | — | — | 1.33 |
| Cm (No. 8) | Monoclinic | — | — | — | 6.94 |
Applications
Where praseodymium orthophosphate is used.
Frequently Asked Questions
Common questions about praseodymium orthophosphate, answered from cross-validated data.
What is PrPO4?
Praseodymium orthophosphate is a rare-earth phosphate compound that typically crystallizes in a monazite-type structure. It is primarily investigated for its potential in advanced materials science, including its role as a host material for luminescence and as a candidate for the immobilization of radioactive waste.
What is PrPO4 used for?
What is the band gap of PrPO4?
Is PrPO4 a metal, semiconductor, or insulator?
Is PrPO4 thermodynamically stable?
What is the crystal structure of PrPO4?
What is the density of PrPO4?
How many polymorphs of PrPO4 are known?
What elements does PrPO4 contain?
Where does the data for PrPO4 come from?
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
Analyze PrPO4 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →