As1Mn1O3
As1Mn1O3 is a thermodynamically stable semiconducting oxide used in oxygen-evolution catalytic applications.
About As1Mn1O3
As1Mn1O3 is a semiconducting oxide that functions as a catalyst for oxygen-evolution reactions. Its thermodynamic stability on the convex hull suggests a robust structural framework, making it a reliable candidate for electrochemical applications where chemical endurance is essential. The material is characterized by its specific manganese-arsenic-oxygen coordination, which influences its electronic behavior. As a member of the oxide catalyst family, it offers a distinct pathway for facilitating energy-intensive redox processes.
Key Properties
Cross-validated computational properties for As1Mn1O3, 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.
Reported Structures
Lowest-energy structures reported for As1Mn1O3, 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. |
|---|---|---|---|---|---|
| P-31m (No. 162) | trigonal | 1.72 | 0.0000 | -7.186 | 5.66 |
| Pm-3m (No. 221) | — | — | — | — | — |
| Pm-3m (No. 221) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.07 |
Applications
Where As1Mn1O3 is used.
Frequently Asked Questions
Common questions about As1Mn1O3, answered from cross-validated data.
What is As1Mn1O3?
As1Mn1O3 is a thermodynamically stable semiconducting oxide used in oxygen-evolution catalytic applications.
What is As1Mn1O3 used for?
What is the band gap of As1Mn1O3?
Is As1Mn1O3 a metal, semiconductor, or insulator?
Is As1Mn1O3 thermodynamically stable?
What is the crystal structure of As1Mn1O3?
What is the density of As1Mn1O3?
How many polymorphs of As1Mn1O3 are known?
What elements does As1Mn1O3 contain?
Where does the data for As1Mn1O3 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Unlike the widely utilized lithium-based transition metal oxides such as LiCoO2 or LiMn2O4, which are primarily optimized for battery intercalation, As1Mn1O3 occupies a niche as a specialized catalyst. While perovskite-related structures like LaMnO3 are frequently studied for their catalytic activity, this compound provides an alternative electronic environment due to the presence of arsenic, distinguishing it from the more common nickel-based oxides like NiO or LaNiO3.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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