Li4O8Pr4
Li4O8Pr4 is a wide-gap insulating lithium oxide compound that exhibits near-hull thermodynamic stability and is of interest for solid-state materials research.
About Li4O8Pr4
Li4O8Pr4 is a complex lithium oxide characterized by its insulating electronic behavior and wide band gap. As a compound with near-hull thermodynamic stability, it is considered a viable candidate for experimental synthesis and structural characterization within the broader family of lithium-based oxides.
Its structural complexity is highlighted by its presence in multiple materials databases, suggesting a diverse range of potential atomic arrangements. This compound serves as a critical subject for researchers exploring the intersection of rare-earth elements and lithium-ion chemistry in solid-state systems.
Key Properties
Cross-validated computational properties for Li4O8Pr4, 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 Li4O8Pr4, 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 | 3.53 | 0.0093 | -7.245 | 5.91 |
| — | — | — | — | — | 4.35 |
| — | — | — | — | — | 3.81 |
| — | — | — | — | — | 5.79 |
| P21/c (No. 14) | — | — | — | — | — |
| — | — | — | — | — | 4.88 |
Applications
Where Li4O8Pr4 is used.
Frequently Asked Questions
Common questions about Li4O8Pr4, answered from cross-validated data.
What is Li4O8Pr4?
Li4O8Pr4 is a wide-gap insulating lithium oxide compound that exhibits near-hull thermodynamic stability and is of interest for solid-state materials research.
What is Li4O8Pr4 used for?
What is the band gap of Li4O8Pr4?
Is Li4O8Pr4 a metal, semiconductor, or insulator?
Is Li4O8Pr4 thermodynamically stable?
What is the crystal structure of Li4O8Pr4?
What is the density of Li4O8Pr4?
How many polymorphs of Li4O8Pr4 are known?
What elements does Li4O8Pr4 contain?
Where does the data for Li4O8Pr4 come from?
How It Compares
Within the lithium oxides class.
Unlike the widely utilized battery cathode materials such as LiCoO2 or LiMn2O4, which are known for their redox-active transition metals, Li4O8Pr4 features praseodymium, placing it in a distinct niche within the lithium oxide class. While Li2O serves as a simple binary reference, Li4O8Pr4 offers a more intricate structural framework that differentiates it from the layered or spinel architectures typical of its more common siblings.
Related Compounds
Other Lithium Oxides in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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