MnNiO6Tb2
MnNiO6Tb2 is a stable, semiconducting quaternary oxide composed of manganese, nickel, terbium, and oxygen.
About MnNiO6Tb2
MnNiO6Tb2 is a complex oxide containing manganese, nickel, and terbium. As a thermodynamically stable compound residing on the convex hull, it represents a robust structural configuration within its chemical system.
This material exhibits semiconducting electronic behavior, making it an interesting candidate for electronic and magnetic studies. Its structural diversity, evidenced by multiple reported configurations, suggests a versatile framework for exploring transition metal and lanthanide interactions.
Key Properties
Cross-validated computational properties for MnNiO6Tb2, 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 MnNiO6Tb2, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 1.88 | 0.0000 | -8.241 | 7.77 |
| — | — | — | — | — | — |
| — | — | — | — | — | 7.75 |
Applications
Where MnNiO6Tb2 is used.
Frequently Asked Questions
Common questions about MnNiO6Tb2, answered from cross-validated data.
What is MnNiO6Tb2?
MnNiO6Tb2 is a stable, semiconducting quaternary oxide composed of manganese, nickel, terbium, and oxygen.
What is MnNiO6Tb2 used for?
What is the band gap of MnNiO6Tb2?
Is MnNiO6Tb2 a metal, semiconductor, or insulator?
Is MnNiO6Tb2 thermodynamically stable?
What is the crystal structure of MnNiO6Tb2?
What is the density of MnNiO6Tb2?
How many polymorphs of MnNiO6Tb2 are known?
What elements does MnNiO6Tb2 contain?
Where does the data for MnNiO6Tb2 come from?
How It Compares
As a unique complex oxide, MnNiO6Tb2 serves as a foundational example of how combining transition metals with rare-earth elements can yield stable, semiconducting phases that are distinct from simpler binary oxides.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- alexandria — Data from alexandria.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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