Lu2Si2O7
Lutetium pyrosilicate · LPS
Lutetium pyrosilicate is a stable, insulating silicate compound widely used as a high-performance scintillator material in medical imaging and radiation detection.
About Lutetium pyrosilicate
Lutetium pyrosilicate is a robust inorganic compound characterized by its insulating electronic nature and high thermodynamic stability. As a member of the rare-earth silicate family, it is prized for its structural integrity and chemical durability under demanding conditions. Its ability to host luminescent centers makes it a critical material for advanced sensing technologies. By maintaining a stable phase, this compound ensures consistent performance in environments where thermal or chemical degradation would compromise other materials. It is primarily utilized in the development of high-performance scintillators for medical imaging and industrial inspection systems.
Key Properties
Cross-validated computational properties for Lutetium pyrosilicate, 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 Lu2Si2O7. 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 Lu2Si2O7, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 5.00 | 0.0000 | -3.471 | — |
| C2/m (No. 12) | monoclinic | 4.85 | 0.0000 | -8.681 | 6.36 |
| — | — | 5.11 | 0.0005 | -3.550 | — |
| P41212 (No. 92) | tetragonal | 5.54 | 0.0012 | -3.470 | — |
| — | — | 5.18 | 0.0037 | -3.547 | — |
| P41212 (No. 92) | tetragonal | 5.20 | 0.0197 | -8.662 | 6.89 |
| P43212 (No. 96) | tetragonal | 5.19 | 0.0200 | -8.661 | 6.58 |
| — | — | 4.77 | 0.0474 | -3.504 | — |
| C2/m (No. 12) | monoclinic | — | — | — | 6.25 |
| P43212 (No. 96) | tetragonal | — | — | — | 6.69 |
| P41212 (No. 92) | tetragonal | — | — | — | 6.69 |
Synthesis Routes
Literature-extracted synthesis procedures targeting Lu2Si2O7.
Applications
Where Lutetium pyrosilicate is used.
Frequently Asked Questions
Common questions about Lutetium pyrosilicate, answered from cross-validated data.
What is Lu2Si2O7?
Lutetium pyrosilicate is a stable, insulating silicate compound widely used as a high-performance scintillator material in medical imaging and radiation detection.
What is Lu2Si2O7 used for?
What is the band gap of Lu2Si2O7?
Is Lu2Si2O7 a metal, semiconductor, or insulator?
Is Lu2Si2O7 thermodynamically stable?
What is the crystal structure of Lu2Si2O7?
How many polymorphs of Lu2Si2O7 are known?
How is Lu2Si2O7 synthesized?
What elements does Lu2Si2O7 contain?
Where does the data for Lu2Si2O7 come from?
How It Compares
As a prominent member of the rare-earth pyrosilicate class, this compound is distinguished by its excellent physical stability and favorable optical properties. It serves as a benchmark for the group, offering a reliable framework for applications that require both high density and efficient light output, setting a high standard for performance within its chemical family.
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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- 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)
- 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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