LiMoPO5
LiMoPO5 is a semiconducting lithium molybdenum phosphate that is considered a viable candidate for experimental synthesis and material development.
About LiMoPO5
LiMoPO5 is a complex lithium molybdenum phosphate that exhibits semiconducting electronic properties. Its structural configuration suggests a versatile framework capable of accommodating various ionic species, making it a subject of interest for researchers exploring new functional materials. The compound is identified as being near-hull in terms of thermodynamic stability, indicating that it is likely synthesizable under controlled laboratory conditions. This stability profile positions it as a promising candidate for further experimental investigation in solid-state chemistry. Given its structural diversity, with multiple reported configurations, LiMoPO5 represents a significant area of study for those interested in the development of novel inorganic semiconductors. Its unique combination of elements allows for potential tuning of its electronic and ionic transport properties, which is essential for next-generation energy storage and sensor technologies.
Key Properties
Cross-validated computational properties for LiMoPO5, 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.
Reported Structures
Lowest-energy structures reported for LiMoPO5, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 1.40 | 0.0063 | -7.835 | 3.68 |
| Pnma (No. 62) | orthorhombic | 0.15 | 0.0393 | -7.802 | 4.00 |
| Pna21 (No. 33) | orthorhombic | 1.25 | 0.0564 | -7.785 | 3.07 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 3.79 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 3.95 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 4.18 |
| No. 0 | unknown | — | — | — | 0.86 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.68 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.06 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.84 |
Applications
Where LiMoPO5 is used.
Frequently Asked Questions
Common questions about LiMoPO5, answered from cross-validated data.
What is LiMoPO5?
LiMoPO5 is a semiconducting lithium molybdenum phosphate that is considered a viable candidate for experimental synthesis and material development.
What is LiMoPO5 used for?
What is the band gap of LiMoPO5?
Is LiMoPO5 a metal, semiconductor, or insulator?
Is LiMoPO5 thermodynamically stable?
What is the crystal structure of LiMoPO5?
What is the density of LiMoPO5?
How many polymorphs of LiMoPO5 are known?
What elements does LiMoPO5 contain?
Where does the data for LiMoPO5 come from?
How It Compares
As a distinct lithium-based phosphate, LiMoPO5 occupies a unique position in the landscape of inorganic materials. While it currently stands as a singular entry in this specific structural class, its near-hull stability suggests it could serve as a foundational material for future derivative compounds, potentially bridging the gap between simple binary oxides and more complex polyanionic frameworks.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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