Nb4Nd12O28
Nb4Nd12O28 is a stable, semiconducting perovskite oxide composed of niobium, neodymium, and oxygen.
About Nb4Nd12O28
Nb4Nd12O28 is a complex oxide belonging to the perovskite family, characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement of niobium, neodymium, and oxygen atoms.
This material is of significant interest in solid-state chemistry due to its structural versatility and potential for electronic applications. Its stability makes it a reliable candidate for researchers investigating the interplay between rare-earth elements and transition metals in perovskite-type lattices.
Key Properties
Cross-validated computational properties for Nb4Nd12O28, 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 Nb4Nd12O28, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 2.87 | 0.0000 | -9.011 | 6.59 |
| Cmcm (No. 63) | orthorhombic | 2.65 | 0.0092 | -9.002 | 6.68 |
| Pnma (No. 62) | — | — | — | — | — |
| — | — | — | — | — | 5.20 |
| — | — | — | — | — | 5.20 |
Applications
Where Nb4Nd12O28 is used.
Frequently Asked Questions
Common questions about Nb4Nd12O28, answered from cross-validated data.
What is Nb4Nd12O28?
Nb4Nd12O28 is a stable, semiconducting perovskite oxide composed of niobium, neodymium, and oxygen.
What is Nb4Nd12O28 used for?
What is the band gap of Nb4Nd12O28?
Is Nb4Nd12O28 a metal, semiconductor, or insulator?
Is Nb4Nd12O28 thermodynamically stable?
What is the crystal structure of Nb4Nd12O28?
What is the density of Nb4Nd12O28?
How many polymorphs of Nb4Nd12O28 are known?
What elements does Nb4Nd12O28 contain?
Where does the data for Nb4Nd12O28 come from?
How It Compares
Within the perovskite oxides class.
Within the diverse landscape of perovskite oxides, Nb4Nd12O28 occupies a distinct niche compared to well-known functional materials like BaTiO3 or LaMnO3. While many siblings in this class are widely utilized for their ferroelectric or magnetic properties, this niobium-neodymium oxide is distinguished by its specific stoichiometry and semiconducting behavior, offering a different electronic profile than the more common lanthanum-based perovskites like LaAlO3 or LaFeO3.
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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