B8Mn2O14
B8Mn2O14 is a thermodynamically stable, insulating borate-oxide material utilized in the study of oxygen-evolution catalysis.
About B8Mn2O14
B8Mn2O14 is a distinct oxide compound characterized by its insulating electronic nature and high thermodynamic stability. As a member of the oxygen-evolution catalyst class, it represents a specialized structural arrangement of boron, manganese, and oxygen that maintains integrity under standard conditions. Its presence on the convex hull highlights its fundamental stability compared to metastable phases. This compound is primarily investigated for its catalytic potential in electrochemical systems where oxygen evolution is a critical reaction step. Its wide-gap electronic character distinguishes it from more metallic or semiconducting transition metal oxides, making it a subject of interest for researchers studying insulating catalysts in electrochemical environments.
Key Properties
Cross-validated computational properties for B8Mn2O14, 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 B8Mn2O14, 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. |
|---|---|---|---|---|---|
| Pbca (No. 61) | orthorhombic | 4.71 | 0.0000 | -8.630 | 2.71 |
| Cmcm (No. 63) | orthorhombic | 2.45 | 0.0607 | -8.569 | 3.61 |
| — | — | — | — | — | 2.72 |
| Cmcm (No. 63) | — | — | — | — | — |
Applications
Where B8Mn2O14 is used.
Frequently Asked Questions
Common questions about B8Mn2O14, answered from cross-validated data.
What is B8Mn2O14?
B8Mn2O14 is a thermodynamically stable, insulating borate-oxide material utilized in the study of oxygen-evolution catalysis.
What is B8Mn2O14 used for?
What is the band gap of B8Mn2O14?
Is B8Mn2O14 a metal, semiconductor, or insulator?
Is B8Mn2O14 thermodynamically stable?
What is the crystal structure of B8Mn2O14?
What is the density of B8Mn2O14?
How many polymorphs of B8Mn2O14 are known?
What elements does B8Mn2O14 contain?
Where does the data for B8Mn2O14 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse family of oxygen-evolution catalysts, B8Mn2O14 occupies a niche position compared to more common transition metal oxides like LiMn2O4 or LaMnO3. While many members of this class, such as LaNiO3 or LiNiO2, rely on metallic or narrow-gap electronic properties to facilitate charge transfer, B8Mn2O14 remains a wide-gap insulator, offering a different pathway for catalytic activity that contrasts with the highly conductive behavior observed in perovskite-structured siblings like BiFeO3.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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