Li3MoP2O9
Li3MoP2O9 is a metastable, semiconducting lithium molybdenum phosphate used in materials science research.
About Li3MoP2O9
Li3MoP2O9 is a complex lithium molybdenum phosphate that exhibits semiconducting electronic behavior. As a metastable phase, it represents a specialized structural arrangement within the broader family of lithium-based polyanionic compounds, offering unique pathways for ion transport and electronic modulation.
Its significance lies in its intricate atomic framework, which is of interest for fundamental studies in solid-state chemistry. Researchers examine this material to understand how the integration of molybdenum and phosphorus into a lithium-rich lattice influences its stability and charge-carrier dynamics.
Key Properties
Cross-validated computational properties for Li3MoP2O9, 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 Li3MoP2O9, 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. |
|---|---|---|---|---|---|
| P1 (No. 1) | triclinic | 1.47 | 0.0629 | -7.311 | 2.88 |
| P1 (No. 1) | Triclinic | — | — | — | 2.88 |
| P1 (No. 1) | Triclinic | — | — | — | 3.13 |
| P1 (No. 1) | Triclinic | — | — | — | 2.97 |
| P1 (No. 1) | — | — | — | — | — |
Applications
Where Li3MoP2O9 is used.
Frequently Asked Questions
Common questions about Li3MoP2O9, answered from cross-validated data.
What is Li3MoP2O9?
Li3MoP2O9 is a metastable, semiconducting lithium molybdenum phosphate used in materials science research.
What is Li3MoP2O9 used for?
What is the band gap of Li3MoP2O9?
Is Li3MoP2O9 a metal, semiconductor, or insulator?
Is Li3MoP2O9 thermodynamically stable?
What is the crystal structure of Li3MoP2O9?
What is the density of Li3MoP2O9?
How many polymorphs of Li3MoP2O9 are known?
What elements does Li3MoP2O9 contain?
Where does the data for Li3MoP2O9 come from?
How It Compares
As a relatively rare and specialized compound, Li3MoP2O9 occupies a distinct niche within the landscape of lithium-containing phosphates. Unlike more common, highly stable battery cathode materials, this compound is characterized by its metastable nature, making it a subject of interest for those exploring non-equilibrium synthesis and the discovery of novel electronic phases.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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