Nd2O5
Nd2O5 is a metastable, semiconducting oxide of neodymium that is primarily studied for its structural complexity and electronic properties.
About Nd2O5
Nd2O5 is a semiconducting neodymium oxide that exists in a metastable state. Its electronic character and structural complexity make it a subject of interest for researchers investigating non-equilibrium oxide phases and their potential for specialized electronic applications. The compound is characterized by a diverse range of structural configurations documented across multiple materials databases. Because of its metastable nature, it represents a challenging but intriguing target for synthesis and characterization within the broader landscape of rare-earth oxides. Its unique electronic profile suggests potential utility in emerging semiconductor technologies where specific oxide behaviors are required.
Key Properties
Cross-validated computational properties for Nd2O5, 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 Nd2O5, 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/c (No. 15) | monoclinic | 2.84 | 0.0282 | -7.577 | 6.19 |
| C2/c (No. 15) | — | — | — | — | — |
| C2/c (No. 15) | Monoclinic | — | — | — | 6.07 |
| C2/c (No. 15) | Monoclinic | — | — | — | 6.45 |
| C2/c (No. 15) | Monoclinic | — | — | — | 6.26 |
Applications
Where Nd2O5 is used.
Frequently Asked Questions
Common questions about Nd2O5, answered from cross-validated data.
What is Nd2O5?
Nd2O5 is a metastable, semiconducting oxide of neodymium that is primarily studied for its structural complexity and electronic properties.
What is Nd2O5 used for?
What is the band gap of Nd2O5?
Is Nd2O5 a metal, semiconductor, or insulator?
Is Nd2O5 thermodynamically stable?
What is the crystal structure of Nd2O5?
What is the density of Nd2O5?
How many polymorphs of Nd2O5 are known?
What elements does Nd2O5 contain?
Where does the data for Nd2O5 come from?
How It Compares
As a metastable neodymium oxide, this compound occupies a distinct niche within the family of rare-earth oxides, where it serves as a specialized example of structural diversity outside of the more common, thermodynamically stable oxide phases.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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