Ba2LaMn2O7
Ba2LaMn2O7 is a metastable semiconducting oxide composed of barium, lanthanum, manganese, and oxygen.
About Ba2LaMn2O7
Ba2LaMn2O7 is a complex oxide containing barium, lanthanum, and manganese. As a semiconducting material, it exhibits electronic properties that make it a subject of interest for researchers investigating transition metal oxides with layered or perovskite-related architectures.
Although it is classified as a metastable phase, the compound has been documented across multiple structural databases. Its existence in various forms highlights the intricate phase landscape of lanthanum-barium-manganites, which are often studied for their potential in advanced electronic and magnetic applications.
Key Properties
Cross-validated computational properties for Ba2LaMn2O7, 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 Ba2LaMn2O7. 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 Ba2LaMn2O7, 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. |
|---|---|---|---|---|---|
| I4/mmm (No. 139) | tetragonal | 0.00 | 0.0000 | -2.751 | — |
| I4/mmm (No. 139) | tetragonal | 0.00 | 0.0000 | -2.751 | — |
| I4/mmm (No. 139) | tetragonal | 0.00 | 0.0004 | -2.750 | — |
| I4/mmm (No. 139) | tetragonal | 0.00 | 0.0590 | -7.927 | 6.26 |
| Immm (No. 71) | orthorhombic | 0.00 | 0.0628 | -7.923 | 6.29 |
| Cmmm (No. 65) | orthorhombic | 0.00 | 0.0673 | -7.919 | 6.27 |
| Cmcm (No. 63) | orthorhombic | 0.94 | 0.0827 | -7.903 | 6.29 |
| Immm (No. 71) | orthorhombic | — | — | — | 6.29 |
| Immm (No. 71) | orthorhombic | — | — | — | 6.56 |
| I4/mmm (No. 139) | tetragonal | — | — | — | 6.79 |
Applications
Where Ba2LaMn2O7 is used.
Frequently Asked Questions
Common questions about Ba2LaMn2O7, answered from cross-validated data.
What is Ba2LaMn2O7?
Ba2LaMn2O7 is a metastable semiconducting oxide composed of barium, lanthanum, manganese, and oxygen.
What is Ba2LaMn2O7 used for?
What is the band gap of Ba2LaMn2O7?
Is Ba2LaMn2O7 a metal, semiconductor, or insulator?
Is Ba2LaMn2O7 thermodynamically stable?
What is the crystal structure of Ba2LaMn2O7?
How many polymorphs of Ba2LaMn2O7 are known?
What elements does Ba2LaMn2O7 contain?
Where does the data for Ba2LaMn2O7 come from?
How It Compares
As a unique member of the complex oxide family, Ba2LaMn2O7 represents a specific stoichiometry within the broader landscape of manganese-based ceramics. While it lacks direct siblings in this specific dataset, it serves as a representative example of how subtle variations in cation composition can influence the stability and electronic behavior of complex transition metal oxides.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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