Nb3Sb3O13
Nb3Sb3O13 is a semiconducting ternary oxide of niobium and antimony that is considered a viable candidate for laboratory synthesis.
About Nb3Sb3O13
Nb3Sb3O13 is a complex oxide composed of niobium, antimony, and oxygen. As a semiconducting material, it occupies a unique position in solid-state chemistry, offering distinct electronic properties that arise from its specific atomic arrangement. Its status as a near-hull compound suggests it is a promising candidate for experimental synthesis and further characterization.
This compound is of significant interest to researchers investigating novel ternary oxides. Its ability to maintain structural integrity while exhibiting semiconducting behavior makes it a compelling subject for studies into electronic transport and potential functional device integration.
Key Properties
Cross-validated computational properties for Nb3Sb3O13, aggregated across 2 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 Nb3Sb3O13. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for Nb3Sb3O13, 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. |
|---|---|---|---|---|---|
| Cm (No. 8) | monoclinic | 2.61 | 0.0205 | -8.107 | 4.61 |
| Cm (No. 8) | monoclinic | 2.63 | 0.0514 | -2.130 | — |
| Cm (No. 8) | monoclinic | — | — | — | 4.86 |
| Cm (No. 8) | monoclinic | — | — | — | 4.70 |
| Cm (No. 8) | monoclinic | — | — | — | 4.61 |
Synthesis Routes
Literature-extracted synthesis procedures targeting Nb3Sb3O13.
Applications
Where Nb3Sb3O13 is used.
Frequently Asked Questions
Common questions about Nb3Sb3O13, answered from cross-validated data.
What is Nb3Sb3O13?
Nb3Sb3O13 is a semiconducting ternary oxide of niobium and antimony that is considered a viable candidate for laboratory synthesis.
What is Nb3Sb3O13 used for?
What is the band gap of Nb3Sb3O13?
Is Nb3Sb3O13 a metal, semiconductor, or insulator?
Is Nb3Sb3O13 thermodynamically stable?
What is the crystal structure of Nb3Sb3O13?
What is the density of Nb3Sb3O13?
How many polymorphs of Nb3Sb3O13 are known?
How is Nb3Sb3O13 synthesized?
What elements does Nb3Sb3O13 contain?
Where does the data for Nb3Sb3O13 come from?
How It Compares
As a specialized ternary oxide, Nb3Sb3O13 represents a distinct structural motif within the broader landscape of niobium-antimony-based materials, serving as a primary example of how these elements can combine into stable, semiconducting architectures.
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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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