Mn3Nb2ZnO9
Mn3Nb2ZnO9 is a semiconducting quaternary oxide that is predicted to be stable enough for experimental synthesis.
About Mn3Nb2ZnO9
Mn3Nb2ZnO9 is a complex oxide material characterized by its semiconducting electronic nature. Its composition, involving manganese, niobium, zinc, and oxygen, places it in a category of multicomponent oxides that are of significant interest for structural and functional material design.
Because it exists near the thermodynamic hull, this compound is considered a strong candidate for successful laboratory synthesis. The existence of multiple reported structures across various databases highlights its structural versatility and potential for further investigation in materials science.
Key Properties
Cross-validated computational properties for Mn3Nb2ZnO9, 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 Mn3Nb2ZnO9. 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 Mn3Nb2ZnO9, 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. |
|---|---|---|---|---|---|
| P3c1 (No. 158) | trigonal | 0.82 | 0.0000 | -2.103 | — |
| — | — | 2.05 | 0.0133 | -2.414 | — |
| P3c1 (No. 158) | trigonal | 1.91 | 0.0208 | -8.719 | 5.36 |
| P3c1 (No. 158) | trigonal | — | — | — | 5.35 |
| P3c1 (No. 158) | trigonal | — | — | — | 5.13 |
| P3c1 (No. 158) | trigonal | — | — | — | 5.32 |
| P3c1 (No. 158) | trigonal | — | — | — | 5.46 |
Applications
Where Mn3Nb2ZnO9 is used.
Frequently Asked Questions
Common questions about Mn3Nb2ZnO9, answered from cross-validated data.
What is Mn3Nb2ZnO9?
Mn3Nb2ZnO9 is a semiconducting quaternary oxide that is predicted to be stable enough for experimental synthesis.
What is Mn3Nb2ZnO9 used for?
What is the band gap of Mn3Nb2ZnO9?
Is Mn3Nb2ZnO9 a metal, semiconductor, or insulator?
Is Mn3Nb2ZnO9 thermodynamically stable?
What is the crystal structure of Mn3Nb2ZnO9?
How many polymorphs of Mn3Nb2ZnO9 are known?
What elements does Mn3Nb2ZnO9 contain?
Where does the data for Mn3Nb2ZnO9 come from?
How It Compares
As a unique multicomponent oxide, Mn3Nb2ZnO9 occupies a distinct niche in materials research, serving as a representative example of complex oxides that balance stability with semiconducting properties. It functions as a key subject for exploring how transition metal arrangements influence the electronic behavior of quaternary oxide systems.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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