Na2Nd2O4
Na2Nd2O4 is a thermodynamically stable, insulating oxide composed of sodium, neodymium, and oxygen.
About Na2Nd2O4
Na2Nd2O4 is a complex oxide composed of sodium, neodymium, and oxygen. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement that maintains structural integrity under standard conditions.
This material functions as a wide-band-gap insulator, a characteristic that makes it a subject of interest for fundamental studies in solid-state chemistry. Its electronic profile suggests potential utility in specialized dielectric applications where insulating behavior is required.
Key Properties
Cross-validated computational properties for Na2Nd2O4, 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 Na2Nd2O4, 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. |
|---|---|---|---|---|---|
| I41/amd (No. 141) | tetragonal | 3.34 | 0.0000 | -6.989 | 5.37 |
| — | — | — | — | — | 5.25 |
| I41/amd (No. 141) | — | — | — | — | — |
Applications
Where Na2Nd2O4 is used.
Frequently Asked Questions
Common questions about Na2Nd2O4, answered from cross-validated data.
What is Na2Nd2O4?
Na2Nd2O4 is a thermodynamically stable, insulating oxide composed of sodium, neodymium, and oxygen.
What is Na2Nd2O4 used for?
What is the band gap of Na2Nd2O4?
Is Na2Nd2O4 a metal, semiconductor, or insulator?
Is Na2Nd2O4 thermodynamically stable?
What is the crystal structure of Na2Nd2O4?
What is the density of Na2Nd2O4?
How many polymorphs of Na2Nd2O4 are known?
What elements does Na2Nd2O4 contain?
Where does the data for Na2Nd2O4 come from?
How It Compares
As a stable oxide phase, Na2Nd2O4 occupies a unique position within the broader landscape of sodium-rare-earth oxides. Unlike more common binary oxides, this compound demonstrates the structural complexity achievable through the combination of alkali and lanthanide elements, serving as a reference point for understanding the stability of multi-component oxide systems.
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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