O4PSm
Samarium orthophosphate · SmPO4
Samarium orthophosphate is a stable, insulating crystalline material primarily utilized for its unique optical and structural properties.
About Samarium orthophosphate
Samarium orthophosphate is a chemically robust inorganic compound that exists as a stable phase on the convex hull. Its electronic character as a wide-band-gap insulator makes it a significant material for specialized electronic and optical components where insulating properties are paramount. The compound is recognized for its structural versatility, appearing in multiple distinct crystallographic forms. This structural diversity allows researchers to tailor its properties for high-performance applications in materials science and solid-state chemistry.
Key Properties
Cross-validated computational properties for Samarium orthophosphate, 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 O4PSm. Tight agreement means computed properties can be trusted without re-running calculations.
Only 1 independent DFT source (materials_project) reports a hull energy for O4PSm, so cross-source agreement can't be assessed yet.
Reported Structures
Lowest-energy structures reported for O4PSm, 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 | 5.81 | 0.0000 | -8.457 | 5.38 |
| P21/c (No. 14) | monoclinic | 5.84 | 0.0017 | -8.455 | 5.73 |
| P3221 (No. 154) | trigonal | 6.07 | 0.0293 | -8.428 | 4.54 |
| C2 (No. 5) | monoclinic | — | — | — | 4.52 |
| P21/c (No. 14) | monoclinic | — | — | — | 5.77 |
| P21/c (No. 14) | monoclinic | — | — | — | 5.73 |
| P3121 (No. 152) | trigonal | — | — | — | 4.47 |
| Ama2 (No. 40) | orthorhombic | — | — | — | 5.21 |
Synthesis Routes
Literature-extracted synthesis procedures targeting O4PSm.
Applications
Where Samarium orthophosphate is used.
Frequently Asked Questions
Common questions about Samarium orthophosphate, answered from cross-validated data.
What is O4PSm?
Samarium orthophosphate is a stable, insulating crystalline material primarily utilized for its unique optical and structural properties.
What is O4PSm used for?
What is the band gap of O4PSm?
Is O4PSm a metal, semiconductor, or insulator?
Is O4PSm thermodynamically stable?
What is the crystal structure of O4PSm?
What is the density of O4PSm?
How many polymorphs of O4PSm are known?
How is O4PSm synthesized?
What elements does O4PSm contain?
Where does the data for O4PSm come from?
How It Compares
As a member of the rare-earth orthophosphate family, this compound serves as a critical baseline for understanding the structural and electronic behavior of lanthanide-based phosphates in high-stability, insulating systems.
Data sources & attribution
- 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)
- alexandria — Data from Alexandria. Cite: Schmidt et al., npj Comput. Mater. 10, 200 (2024). (CC-BY-4.0)
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