MnNb2Zn2O8
MnNb2Zn2O8 is a semiconducting quaternary oxide that is theoretically stable enough to be a viable target for laboratory synthesis.
About MnNb2Zn2O8
MnNb2Zn2O8 is a complex quaternary oxide that exhibits semiconducting electronic behavior. Its structural configuration and chemical composition suggest a material with potential for specialized electronic or functional applications where precise band structure control is required.
As a near-hull material, this compound is considered a strong candidate for experimental synthesis. The existence of multiple reported structural variations across databases underscores its significance as a subject of ongoing investigation in materials science.
Key Properties
Cross-validated computational properties for MnNb2Zn2O8, 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 MnNb2Zn2O8. 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 MnNb2Zn2O8, 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. |
|---|---|---|---|---|---|
| — | — | 2.36 | 0.0207 | -2.383 | — |
| C2/c (No. 15) | monoclinic | 2.02 | 0.0232 | -8.013 | 5.30 |
| C2/c (No. 15) | monoclinic | 0.00 | 0.1011 | -2.104 | — |
| C2/c (No. 15) | monoclinic | 0.00 | 0.1127 | -2.093 | — |
| C2/c (No. 15) | monoclinic | — | — | — | 5.56 |
| C2/c (No. 15) | monoclinic | — | — | — | 5.47 |
| C2/c (No. 15) | monoclinic | — | — | — | 5.30 |
| C2/c (No. 15) | monoclinic | — | — | — | 5.62 |
Applications
Where MnNb2Zn2O8 is used.
Frequently Asked Questions
Common questions about MnNb2Zn2O8, answered from cross-validated data.
What is MnNb2Zn2O8?
MnNb2Zn2O8 is a semiconducting quaternary oxide that is theoretically stable enough to be a viable target for laboratory synthesis.
What is MnNb2Zn2O8 used for?
What is the band gap of MnNb2Zn2O8?
Is MnNb2Zn2O8 a metal, semiconductor, or insulator?
Is MnNb2Zn2O8 thermodynamically stable?
What is the crystal structure of MnNb2Zn2O8?
What is the density of MnNb2Zn2O8?
How many polymorphs of MnNb2Zn2O8 are known?
What elements does MnNb2Zn2O8 contain?
Where does the data for MnNb2Zn2O8 come from?
How It Compares
As a unique quaternary oxide, MnNb2Zn2O8 occupies a distinct niche in the landscape of transition metal-based materials, serving as a representative example of how complex stoichiometry can influence electronic and structural stability in the absence of more common binary or ternary counterparts.
Data sources & attribution
- 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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- 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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