La4Mn3NiO12
La4Mn3NiO12 is a metastable, semimetallic quaternary oxide containing lanthanum, manganese, and nickel.
About La4Mn3NiO12
La4Mn3NiO12 is a complex multimetallic oxide composed of lanthanum, manganese, nickel, and oxygen. It exhibits a near-zero-gap electronic character, positioning it as a semimetallic material of interest for researchers investigating the interplay between transition metal d-orbitals in oxide lattices. Due to its structural complexity, it has been the subject of multiple crystallographic investigations across various materials databases. As a material situated above the thermodynamic hull, it is considered metastable, which presents specific challenges and opportunities for synthesis and stabilization in experimental settings. Its structural diversity suggests a sensitivity to processing conditions, making it a focal point for studies on how atomic arrangement influences electronic behavior in quaternary oxide systems.
Key Properties
Cross-validated computational properties for La4Mn3NiO12, 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 La4Mn3NiO12. 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 La4Mn3NiO12, 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-1 (No. 2) | triclinic | 0.00 | 0.0000 | -2.795 | — |
| P-1 (No. 2) | triclinic | 0.09 | 0.1447 | -8.535 | 6.54 |
| P-1 (No. 2) | triclinic | — | — | — | 6.78 |
| P-1 (No. 2) | triclinic | — | — | — | 7.01 |
| P-1 (No. 2) | triclinic | — | — | — | 6.54 |
Synthesis Routes
Literature-extracted synthesis procedures targeting La4Mn3NiO12.
Applications
Where La4Mn3NiO12 is used.
Frequently Asked Questions
Common questions about La4Mn3NiO12, answered from cross-validated data.
What is La4Mn3NiO12?
La4Mn3NiO12 is a metastable, semimetallic quaternary oxide containing lanthanum, manganese, and nickel.
What is La4Mn3NiO12 used for?
What is the band gap of La4Mn3NiO12?
Is La4Mn3NiO12 a metal, semiconductor, or insulator?
Is La4Mn3NiO12 thermodynamically stable?
What is the crystal structure of La4Mn3NiO12?
How many polymorphs of La4Mn3NiO12 are known?
How is La4Mn3NiO12 synthesized?
What elements does La4Mn3NiO12 contain?
Where does the data for La4Mn3NiO12 come from?
How It Compares
As a unique quaternary oxide, La4Mn3NiO12 occupies a distinct niche in materials research, serving as a case study for the behavior of mixed-transition-metal systems. Without direct structural siblings in this specific class, it stands as a standalone example of how substituting nickel into a manganese-lanthanum oxide framework alters the electronic density near the Fermi level.
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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