Nb4O15Sr5
Nb4O15Sr5 is a thermodynamically stable semiconducting perovskite oxide used in materials research.
About Nb4O15Sr5
Nb4O15Sr5 is a thermodynamically stable member of the perovskite oxide family. Characterized by its semiconducting electronic nature, this complex oxide represents a significant subject of study within materials science due to its well-defined structural integrity on the convex hull.
Its utility lies in its potential for specialized electronic applications where stable, semiconducting oxide frameworks are required. The material is supported by multiple reported structures, reflecting its importance in the broader landscape of functional ceramic oxides.
Key Properties
Cross-validated computational properties for Nb4O15Sr5, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Nb4O15Sr5. Tight agreement means computed properties can be trusted without re-running calculations.
Only 1 independent DFT source (materials_project) reports a hull energy for Nb4O15Sr5, so cross-source agreement can't be assessed yet.
Reported Structures
Lowest-energy structures reported for Nb4O15Sr5, 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. |
|---|---|---|---|---|---|
| P-3c1 (No. 165) | trigonal | 2.80 | 0.0000 | -8.427 | 5.36 |
| P-3m1 (No. 164) | trigonal | 2.98 | 0.0187 | -8.408 | 5.35 |
| C2/m (No. 12) | monoclinic | 2.56 | 0.0198 | -8.407 | 5.23 |
| P-3c1 (No. 165) | trigonal | — | — | — | 5.46 |
| P-3c1 (No. 165) | trigonal | — | — | — | 5.24 |
Synthesis Routes
Literature-extracted synthesis procedures targeting Nb4O15Sr5.
Applications
Where Nb4O15Sr5 is used.
Frequently Asked Questions
Common questions about Nb4O15Sr5, answered from cross-validated data.
What is Nb4O15Sr5?
Nb4O15Sr5 is a thermodynamically stable semiconducting perovskite oxide used in materials research.
What is Nb4O15Sr5 used for?
What is the band gap of Nb4O15Sr5?
Is Nb4O15Sr5 a metal, semiconductor, or insulator?
Is Nb4O15Sr5 thermodynamically stable?
What is the crystal structure of Nb4O15Sr5?
What is the density of Nb4O15Sr5?
How many polymorphs of Nb4O15Sr5 are known?
How is Nb4O15Sr5 synthesized?
What elements does Nb4O15Sr5 contain?
Where does the data for Nb4O15Sr5 come from?
How It Compares
Within the perovskite oxides class.
Within the diverse class of perovskite oxides, Nb4O15Sr5 distinguishes itself through its specific semiconducting behavior compared to the more commonly studied magnetic or ferroelectric members like LaMnO3 or BaTiO3. While materials such as LaAlO3 are frequently utilized as substrates due to their insulating nature, Nb4O15Sr5 offers a distinct electronic profile that positions it as a unique candidate for research into tailored oxide semiconductors.
Related Compounds
Other Perovskite Oxides in the database.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- alexandria — Data from Alexandria. Cite: Schmidt et al., npj Comput. Mater. 10, 200 (2024). (CC-BY-4.0)
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