LaPO4
Lanthanum phosphate · Lanthanum orthophosphate
Lanthanum phosphate is a crystalline inorganic compound that occurs naturally as the mineral monazite. It is widely utilized in materials science due to its thermal stability and its ability to act as a host material for luminescent ions.
LaOP
Overview
Key Properties
Cross-validated computational properties for Lanthanum phosphate, 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.
4.26–4.90 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
21
4 databases, 5 space groups
Crystallography
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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 4.49 | 0.0000 | -8.562 | 5.07 |
| 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 |
| Pnma (No. 62) | orthorhombic | 4.26 | 0.0678 | -8.494 | 4.30 |
| P21/c (No. 14) | monoclinic | — | — | — | 1.30 |
| I41/amd (No. 141) | Tetragonal | — | — | — | 4.61 |
| Pnma (No. 62) | — | — | — | — | — |
| I41/amd (No. 141) | Tetragonal | — | — | — | 4.68 |
| I41/amd (No. 141) | — | — | — | — | — |
| I41/amd (No. 141) | Tetragonal | — | — | — | 4.87 |
| P6222 (No. 180) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.27 |
Synthesis
Synthesis Routes
Literature-extracted synthesis procedures targeting LaPO4.
Sol-Gel
Procedure available · ceder_solid_state
Sol-Gel
Procedure available · ceder_solid_state
Sol-Gel
Procedure available · ceder_solid_state
Sol-Gel
Procedure available · ceder_solid_state
Sol-Gel
Procedure available · ceder_solid_state
Sol-Gel
Procedure available · ceder_solid_state
Uses
Applications
Where Lanthanum phosphate is used.
Phosphor materials for lightingCatalyst supportsCeramic matrix compositesNuclear waste immobilization
Reference
Frequently Asked Questions
Common questions about Lanthanum phosphate, answered from cross-validated data.
What is LaPO4?
Lanthanum phosphate is a crystalline inorganic compound that occurs naturally as the mineral monazite. It is widely utilized in materials science due to its thermal stability and its ability to act as a host material for luminescent ions.
More questions
What is LaPO4 used for?
Lanthanum phosphate (LaPO4) is used in phosphor materials for lighting, catalyst supports, ceramic matrix composites, and nuclear waste immobilization.
What is the band gap of LaPO4?
Lanthanum phosphate (LaPO4) has a DFT-computed band gap of 4.26–4.90 eV across 21 reported structures.
Is LaPO4 a metal, semiconductor, or insulator?
With a wide band gap up to 4.90 eV it is an insulator / wide-band-gap material.
Is LaPO4 thermodynamically stable?
Yes — Lanthanum phosphate (LaPO4) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of LaPO4?
The lowest-energy reported polymorph of Lanthanum phosphate (LaPO4) is monoclinic symmetry, space group P21/c (No. 14).
What is the density of LaPO4?
The computed density of the ground-state structure of Lanthanum phosphate (LaPO4) is 5.07 g/cm³.
How many polymorphs of LaPO4 are known?
21 structures of LaPO4 are reported across 4 databases, spanning 5 distinct space groups.
How is LaPO4 synthesized?
Literature-reported routes for LaPO4 include sol-gel (7 procedures documented).
What elements does LaPO4 contain?
Lanthanum phosphate (LaPO4) contains La, O, and P (3 elements).
Where does the data for LaPO4 come from?
LaPO4 data is cross-referenced from materials_project, cod, mpaloe, jarvis.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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