Mn2Te3O8
Mn2Te3O8 is a thermodynamically stable semiconducting oxide material utilized in the investigation of oxygen-evolution catalysis.
About Mn2Te3O8
Mn2Te3O8 is a semiconducting ternary oxide that occupies a stable position on the thermodynamic convex hull. Its unique composition of manganese and tellurium within an oxygen framework makes it a subject of interest for advanced catalytic processes where electronic transport properties are critical for performance.
As a member of the oxide oxygen-evolution catalyst class, this material is studied for its potential to facilitate electrochemical reactions. Its structural diversity, evidenced by multiple reported configurations, suggests a versatile framework that researchers analyze to optimize efficiency in energy conversion technologies.
Key Properties
Cross-validated computational properties for Mn2Te3O8, 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 Mn2Te3O8. 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 Mn2Te3O8, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 2.19 | 0.0000 | -6.914 | 5.08 |
| — | — | 2.17 | 0.0000 | -1.626 | — |
| C2/c (No. 15) | monoclinic | 0.68 | 0.0839 | -1.265 | — |
| C2/c (No. 15) | monoclinic | — | — | — | 5.06 |
| C2/c (No. 15) | monoclinic | — | — | — | 4.91 |
| C2/c (No. 15) | monoclinic | — | — | — | 5.17 |
| C2/c (No. 15) | monoclinic | — | — | — | 4.78 |
Applications
Where Mn2Te3O8 is used.
Frequently Asked Questions
Common questions about Mn2Te3O8, answered from cross-validated data.
What is Mn2Te3O8?
Mn2Te3O8 is a thermodynamically stable semiconducting oxide material utilized in the investigation of oxygen-evolution catalysis.
What is Mn2Te3O8 used for?
What is the band gap of Mn2Te3O8?
Is Mn2Te3O8 a metal, semiconductor, or insulator?
Is Mn2Te3O8 thermodynamically stable?
What is the crystal structure of Mn2Te3O8?
What is the density of Mn2Te3O8?
How many polymorphs of Mn2Te3O8 are known?
What elements does Mn2Te3O8 contain?
Where does the data for Mn2Te3O8 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
While many members of the oxide oxygen-evolution catalyst class, such as LiCoO2 or LaMnO3, are widely utilized in battery electrodes and perovskite-based catalysis, Mn2Te3O8 represents a distinct chemical space involving tellurium. Unlike the more common transition metal oxides like NiO or LiMn2O4, this compound offers a different electronic landscape that researchers investigate to expand the library of stable, semiconducting materials available for catalytic applications.
Related Compounds
Other Oxide Oxygen-Evolution Catalysts 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)
- 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)
- 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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