Na2O8Pr2Ti2
Na2O8Pr2Ti2 is a semiconducting layered oxide containing sodium, praseodymium, and titanium that is considered potentially synthesizable.
About Na2O8Pr2Ti2
Na2O8Pr2Ti2 is a complex layered sodium transition-metal oxide characterized by its semiconducting electronic nature. As a material situated near the thermodynamic hull, it represents a promising candidate for experimental synthesis and structural investigation within the broader family of sodium-based oxides.
Its structural configuration is of significant interest for researchers studying ion transport and electronic properties in layered systems. Given its status as a near-hull phase, it serves as a valuable subject for understanding the stability limits and phase space of sodium-rich transition-metal oxides.
Key Properties
Cross-validated computational properties for Na2O8Pr2Ti2, 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 Na2O8Pr2Ti2, 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. |
|---|---|---|---|---|---|
| P4/nmm (No. 129) | tetragonal | 2.47 | 0.0018 | -8.155 | 4.90 |
| — | — | — | — | — | 4.76 |
| P4/nmm (No. 129) | — | — | — | — | — |
| — | — | — | — | — | 4.87 |
| — | — | — | — | — | 3.81 |
Applications
Where Na2O8Pr2Ti2 is used.
Frequently Asked Questions
Common questions about Na2O8Pr2Ti2, answered from cross-validated data.
What is Na2O8Pr2Ti2?
Na2O8Pr2Ti2 is a semiconducting layered oxide containing sodium, praseodymium, and titanium that is considered potentially synthesizable.
What is Na2O8Pr2Ti2 used for?
What is the band gap of Na2O8Pr2Ti2?
Is Na2O8Pr2Ti2 a metal, semiconductor, or insulator?
Is Na2O8Pr2Ti2 thermodynamically stable?
What is the crystal structure of Na2O8Pr2Ti2?
What is the density of Na2O8Pr2Ti2?
How many polymorphs of Na2O8Pr2Ti2 are known?
What elements does Na2O8Pr2Ti2 contain?
Where does the data for Na2O8Pr2Ti2 come from?
How It Compares
Within the layered sodium transition-metal oxides class.
Within the diverse class of layered sodium transition-metal oxides, Na2O8Pr2Ti2 occupies a unique niche compared to more common members like NaCoO2 or Na2Ti3O7. While many of its siblings are extensively utilized in battery electrodes, this praseodymium-containing variant offers a distinct electronic profile that differentiates it from the simpler transition-metal-only oxides like NaFeO2 or NaMnO2.
Related Compounds
Other Layered Sodium Transition-Metal 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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