MnTeO3

MnTeO3 is a metastable, insulating oxide compound investigated for its catalytic properties and structural versatility.

Crystal structure of MnTeO3 (orthorhombic, Pnma (No. 62))
Ground-state structure · Materials Project
Overview

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.

At a glance

Key Properties

Cross-validated computational properties for MnTeO3, aggregated across 4 databases.

Band Gap

0.36–3.01 eV
Range across DFT structures

Energy Above Hull

0.034 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

8
4 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for MnTeO3, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Pnma (No. 62)orthorhombic3.010.0344-7.1705.69
Pnma (No. 62)orthorhombic0.360.2303-6.9745.80
No. 0unknown0.78
Pnma (No. 62)Orthorhombic5.69
Pnma (No. 62)
No. 0unknown0.78
Pnma (No. 62)Orthorhombic6.10
Pnma (No. 62)Orthorhombic5.84
Uses

Applications

Where MnTeO3 is used.

Oxygen-evolution catalysis researchElectrochemical energy conversionAdvanced materials synthesis
Reference

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.

More questions
What is MnTeO3 used for?
MnTeO3 is used in oxygen-evolution catalysis research, electrochemical energy conversion, and advanced materials synthesis.
What is the band gap of MnTeO3?
MnTeO3 has a DFT-computed band gap of 0.36–3.01 eV across 8 reported structures.
Is MnTeO3 a metal, semiconductor, or insulator?
With a wide band gap up to 3.01 eV it is an insulator / wide-band-gap material.
Is MnTeO3 thermodynamically stable?
MnTeO3 has a lowest energy above hull of 0.034 eV/atom (metastable).
What is the crystal structure of MnTeO3?
The lowest-energy reported polymorph of MnTeO3 is orthorhombic symmetry, space group Pnma (No. 62).
What is the density of MnTeO3?
The computed density of the ground-state structure of MnTeO3 is 5.69 g/cm³.
How many polymorphs of MnTeO3 are known?
8 structures of MnTeO3 are reported across 4 databases, spanning 2 distinct space groups.
What elements does MnTeO3 contain?
MnTeO3 contains Mn, O, and Te (3 elements).
Where does the data for MnTeO3 come from?
MnTeO3 data is cross-referenced from materials_project, cod, mpaloe, jarvis.
Comparison

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.

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Related Compounds

Other Oxide Oxygen-Evolution Catalysts in the database.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
  • mpaloe — Data from mpaloe.
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).

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