MnTeO3
MnTeO3 is a metastable, insulating oxide compound investigated for its catalytic properties and structural versatility.
About MnTeO3
MnTeO3 is a complex oxide characterized by its insulating electronic nature and metastable thermodynamic state. As a member of the oxide oxygen-evolution catalyst class, it represents a unique structural arrangement of manganese, tellurium, and oxygen atoms that offers distinct pathways for surface-mediated chemical reactions. Its structural diversity is highlighted by multiple reported configurations across various databases, making it a subject of interest for fundamental materials research. The compound is primarily studied for its potential utility in electrochemical energy conversion systems where stable, non-metallic oxides are required to facilitate oxygen production. Its wide-gap electronic character suggests potential applications in specialized optoelectronic or catalytic environments where charge carrier control is essential.
Key Properties
Cross-validated computational properties for MnTeO3, 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 MnTeO3. 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 MnTeO3, 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. |
|---|---|---|---|---|---|
| — | — | 2.46 | 0.0016 | -1.683 | — |
| — | — | 2.40 | 0.0341 | -1.651 | — |
| Pnma (No. 62) | orthorhombic | 3.01 | 0.0344 | -7.170 | 5.69 |
| Pnma (No. 62) | orthorhombic | 0.81 | 0.1534 | -1.265 | — |
| Pnma (No. 62) | orthorhombic | 0.36 | 0.2303 | -6.974 | 5.80 |
| — | — | 0.00 | 0.4224 | -1.263 | — |
| — | — | 0.00 | 0.6571 | -1.028 | — |
| — | — | 0.00 | 0.6812 | -1.004 | — |
| Pnma (No. 62) | orthorhombic | — | — | — | 5.84 |
| Pnma (No. 62) | orthorhombic | — | — | — | 5.69 |
| Pnma (No. 62) | orthorhombic | — | — | — | 6.10 |
Applications
Where MnTeO3 is used.
Frequently Asked Questions
Common questions about MnTeO3, answered from cross-validated data.
What is MnTeO3?
MnTeO3 is a metastable, insulating oxide compound investigated for its catalytic properties and structural versatility.
What is MnTeO3 used for?
What is the band gap of MnTeO3?
Is MnTeO3 a metal, semiconductor, or insulator?
Is MnTeO3 thermodynamically stable?
What is the crystal structure of MnTeO3?
What is the density of MnTeO3?
How many polymorphs of MnTeO3 are known?
What elements does MnTeO3 contain?
Where does the data for MnTeO3 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Unlike the highly studied and commercially prevalent battery materials such as LiCoO2 or LiMn2O4, MnTeO3 occupies a more specialized niche within the oxide catalyst family. While compounds like LaMnO3 and NiO are frequently utilized for their robust conductivity and catalytic activity, MnTeO3 is distinguished by its metastable nature and insulating properties, which set it apart from the more metallic or semi-conducting perovskite-related oxides in the class.
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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