La2MnNiO6
La2MnNiO6 is a metastable semiconducting oxide containing lanthanum, manganese, and nickel that is primarily studied for its complex electronic properties.
About La2MnNiO6
La2MnNiO6 is a complex oxide composed of lanthanum, manganese, nickel, and oxygen. As a semiconducting material, it exhibits electronic behaviors that are of significant interest for fundamental research into transition metal oxides and their potential for advanced electronic applications.
Because the material exists in a metastable state, its synthesis and structural integrity are highly sensitive to processing conditions. Understanding its structural variations is key to unlocking its potential, as researchers continue to investigate how its atomic arrangement influences its overall electronic character.
Key Properties
Cross-validated computational properties for La2MnNiO6, aggregated across 4 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 La2MnNiO6. 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 La2MnNiO6, 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. |
|---|---|---|---|---|---|
| — | — | 1.65 | 0.0000 | -2.741 | — |
| — | — | 1.60 | 0.0008 | -2.741 | — |
| — | — | 1.79 | 0.0030 | -2.738 | — |
| P21/c (No. 14) | monoclinic | 0.00 | 0.0427 | -8.279 | 6.73 |
| R-3 (No. 148) | trigonal | 1.58 | 0.0477 | -8.274 | 6.75 |
| — | — | 0.00 | 0.0477 | -2.694 | — |
| Fm-3m (No. 225) | cubic | 1.28 | 0.0973 | -8.224 | 6.89 |
| P21/c (No. 14) | monoclinic | — | — | — | 6.93 |
| P21/c (No. 14) | monoclinic | — | — | — | 7.16 |
| P21/c (No. 14) | monoclinic | — | — | — | 6.94 |
| R-3 (No. 148) | trigonal | — | — | — | 6.99 |
| R-3 (No. 148) | trigonal | — | — | — | 6.75 |
Synthesis Routes
Literature-extracted synthesis procedures targeting La2MnNiO6.
Applications
Where La2MnNiO6 is used.
Frequently Asked Questions
Common questions about La2MnNiO6, answered from cross-validated data.
What is La2MnNiO6?
La2MnNiO6 is a metastable semiconducting oxide containing lanthanum, manganese, and nickel that is primarily studied for its complex electronic properties.
What is La2MnNiO6 used for?
What is the band gap of La2MnNiO6?
Is La2MnNiO6 a metal, semiconductor, or insulator?
Is La2MnNiO6 thermodynamically stable?
What is the crystal structure of La2MnNiO6?
What is the density of La2MnNiO6?
How many polymorphs of La2MnNiO6 are known?
How is La2MnNiO6 synthesized?
What elements does La2MnNiO6 contain?
Where does the data for La2MnNiO6 come from?
How It Compares
As a member of the broader family of lanthanum-based transition metal oxides, La2MnNiO6 represents a specialized case where the interplay between manganese and nickel ions dictates its semiconducting nature. Unlike more common, highly stable perovskite oxides, this compound occupies a unique niche where its metastable nature allows for distinct structural configurations that are not easily replicated in more thermodynamically robust materials.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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