Nd4O14Sn4
Nd4O14Sn4 is a stable, semiconducting perovskite oxide composed of neodymium, tin, and oxygen.
About Nd4O14Sn4
Nd4O14Sn4 is a complex perovskite oxide that occupies a stable position on the thermodynamic convex hull, indicating significant structural integrity. As a semiconducting material, it offers a unique electronic profile that distinguishes it from more common metallic or insulating perovskites. Its existence across multiple reported structures highlights its versatility and potential for structural tuning in solid-state chemistry. This compound serves as a valuable subject for researchers investigating the interplay between rare-earth elements and tin-based oxide frameworks. By leveraging the stability of its lattice, scientists can explore its potential as a functional component in electronic and optoelectronic devices where semiconducting behavior is required.
Key Properties
Cross-validated computational properties for Nd4O14Sn4, 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 Nd4O14Sn4, 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. |
|---|---|---|---|---|---|
| Fd-3m (No. 227) | cubic | 2.67 | 0.0000 | -7.719 | 7.08 |
| Fd-3m (No. 227) | cubic | 0.00 | 0.5717 | -7.148 | 6.85 |
| Fd-3m (No. 227) | — | — | — | — | — |
| — | — | — | — | — | 6.89 |
Applications
Where Nd4O14Sn4 is used.
Frequently Asked Questions
Common questions about Nd4O14Sn4, answered from cross-validated data.
What is Nd4O14Sn4?
Nd4O14Sn4 is a stable, semiconducting perovskite oxide composed of neodymium, tin, and oxygen.
What is Nd4O14Sn4 used for?
What is the band gap of Nd4O14Sn4?
Is Nd4O14Sn4 a metal, semiconductor, or insulator?
Is Nd4O14Sn4 thermodynamically stable?
What is the crystal structure of Nd4O14Sn4?
What is the density of Nd4O14Sn4?
How many polymorphs of Nd4O14Sn4 are known?
What elements does Nd4O14Sn4 contain?
Where does the data for Nd4O14Sn4 come from?
How It Compares
Within the perovskite oxides class.
Within the diverse family of perovskite oxides, Nd4O14Sn4 occupies a specialized niche compared to widely studied members like BaTiO3 or LaAlO3. While many perovskites in this class are characterized by their insulating or ferroelectric properties, this compound distinguishes itself through its semiconducting nature and specific rare-earth composition. Unlike the highly magnetic or catalytic perovskites such as LaMnO3 or LaNiO3, Nd4O14Sn4 provides a stable, semiconducting platform that is particularly relevant for applications requiring controlled electronic transport within an oxide framework.
Related Compounds
Other Perovskite Oxides in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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