BaYMn2O5
BaYMn2O5 is a semiconducting complex oxide that is considered a viable target for laboratory synthesis due to its favorable thermodynamic stability.
About BaYMn2O5
BaYMn2O5 is a complex oxide featuring barium, yttrium, manganese, and oxygen. As a semiconducting material, it exhibits electronic properties that are of significant interest for fundamental condensed matter studies and potential functional applications. Its structural diversity is highlighted by numerous reported configurations across major databases.
Because it is positioned near the thermodynamic stability hull, this compound is considered a strong candidate for experimental synthesis. Its ability to maintain a stable structure while hosting transition metal ions makes it a valuable subject for investigating magnetic and electronic phenomena in layered oxide systems.
Key Properties
Cross-validated computational properties for BaYMn2O5, 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 BaYMn2O5, 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. |
|---|---|---|---|---|---|
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.0058 | -8.508 | 5.61 |
| P4/nmm (No. 129) | tetragonal | 0.00 | 0.0122 | -8.502 | 5.62 |
| I4/mmm (No. 139) | tetragonal | 1.20 | 0.0173 | -8.497 | 5.60 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 5.61 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 6.04 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 5.85 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 5.60 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 5.98 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 5.85 |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting BaYMn2O5.
Applications
Where BaYMn2O5 is used.
Frequently Asked Questions
Common questions about BaYMn2O5, answered from cross-validated data.
What is BaYMn2O5?
BaYMn2O5 is a semiconducting complex oxide that is considered a viable target for laboratory synthesis due to its favorable thermodynamic stability.
What is BaYMn2O5 used for?
What is the band gap of BaYMn2O5?
Is BaYMn2O5 a metal, semiconductor, or insulator?
Is BaYMn2O5 thermodynamically stable?
What is the crystal structure of BaYMn2O5?
What is the density of BaYMn2O5?
How many polymorphs of BaYMn2O5 are known?
How is BaYMn2O5 synthesized?
What elements does BaYMn2O5 contain?
Where does the data for BaYMn2O5 come from?
How It Compares
As a unique member of the complex manganese-based oxide family, BaYMn2O5 serves as a critical reference point for understanding how the integration of yttrium and barium influences the semiconducting behavior of the manganese-oxygen framework.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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