LaPO4
lanthanum phosphate · monazite-La
Lanthanum phosphate is a stable, wide-band-gap insulating compound widely utilized as a host material for optical and structural applications.
About lanthanum phosphate
Lanthanum phosphate is a highly stable inorganic compound that exists as a wide-band-gap insulator. Its structural robustness and chemical inertness make it a significant subject of study, with numerous documented crystalline arrangements reflecting its versatile nature in solid-state chemistry.
Because of its inherent stability and electronic properties, this material is frequently investigated for its role in advanced optical and structural applications. It serves as a foundational host lattice for various dopants, enabling its use in specialized technological sectors ranging from photonics to nuclear waste immobilization.
Key Properties
Cross-validated computational properties for lanthanum phosphate, 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 LaPO4. 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 LaPO4, 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 | 5.51 | 0.0000 | -3.171 | — |
| — | — | 4.93 | 0.0000 | -3.361 | — |
| P21/c (No. 14) | monoclinic | 4.48 | 0.0000 | -8.562 | 5.07 |
| — | — | 5.21 | 0.0063 | -3.355 | — |
| — | — | 5.07 | 0.0086 | -3.352 | — |
| — | — | 5.01 | 0.0203 | -3.341 | — |
| P6222 (No. 180) | hexagonal | 5.35 | 0.0215 | -3.149 | — |
| Pnma (No. 62) | orthorhombic | 5.05 | 0.0296 | -3.141 | — |
| P6222 (No. 180) | hexagonal | 4.90 | 0.0349 | -8.527 | 4.00 |
| I41/amd (No. 141) | tetragonal | 4.65 | 0.0565 | -8.505 | 4.61 |
| — | — | 0.00 | 0.0657 | -3.295 | — |
| Pnma (No. 62) | orthorhombic | 4.19 | 0.0678 | -8.494 | 4.30 |
Synthesis Routes
Literature-extracted synthesis procedures targeting LaPO4.
Applications
Where lanthanum phosphate is used.
Frequently Asked Questions
Common questions about lanthanum phosphate, answered from cross-validated data.
What is LaPO4?
Lanthanum phosphate is a stable, wide-band-gap insulating compound widely utilized as a host material for optical and structural applications.
What is LaPO4 used for?
What is the band gap of LaPO4?
Is LaPO4 a metal, semiconductor, or insulator?
Is LaPO4 thermodynamically stable?
What is the crystal structure of LaPO4?
What is the density of LaPO4?
How many polymorphs of LaPO4 are known?
How is LaPO4 synthesized?
What elements does LaPO4 contain?
Where does the data for LaPO4 come from?
How It Compares
As a prominent member of the phosphate family, LaPO4 is recognized for its exceptional thermodynamic stability, which places it firmly on the convex hull. Its structural flexibility and insulating character allow it to function as a reliable host material, distinguishing it as a benchmark for stability within its chemical class.
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.
- 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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