Ho2MnNiO6
Ho2MnNiO6 is a thermodynamically stable semiconducting oxide composed of holmium, manganese, nickel, and oxygen.
About Ho2MnNiO6
Ho2MnNiO6 is a complex oxide featuring holmium, manganese, and nickel. As a thermodynamically stable material situated on the convex hull, it represents a robust phase within its compositional family, characterized by a semiconducting electronic nature that makes it a subject of interest for fundamental condensed matter research. Its structural diversity is highlighted by multiple reported configurations across various databases, reflecting its intricate atomic arrangement. This compound serves as a valuable model for understanding the interplay between rare-earth elements and transition metals in oxide lattices. Its stability and semiconducting behavior suggest potential utility in specialized electronic or magnetic device architectures where precise control over charge transport is required.
Key Properties
Cross-validated computational properties for Ho2MnNiO6, 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 Ho2MnNiO6. 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 Ho2MnNiO6, 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. |
|---|---|---|---|---|---|
| — | — | 1.91 | 0.0000 | -2.781 | — |
| P21/c (No. 14) | monoclinic | 1.87 | 0.0000 | -8.243 | 8.03 |
| P21/c (No. 14) | monoclinic | 0.48 | 0.0000 | -2.732 | — |
| — | — | 1.93 | 0.0651 | -2.716 | — |
| C2/m (No. 12) | monoclinic | — | — | — | 7.79 |
| P21/c (No. 14) | monoclinic | — | — | — | 8.09 |
Applications
Where Ho2MnNiO6 is used.
Frequently Asked Questions
Common questions about Ho2MnNiO6, answered from cross-validated data.
What is Ho2MnNiO6?
Ho2MnNiO6 is a thermodynamically stable semiconducting oxide composed of holmium, manganese, nickel, and oxygen.
What is Ho2MnNiO6 used for?
What is the band gap of Ho2MnNiO6?
Is Ho2MnNiO6 a metal, semiconductor, or insulator?
Is Ho2MnNiO6 thermodynamically stable?
What is the crystal structure of Ho2MnNiO6?
What is the density of Ho2MnNiO6?
How many polymorphs of Ho2MnNiO6 are known?
What elements does Ho2MnNiO6 contain?
Where does the data for Ho2MnNiO6 come from?
How It Compares
As a member of the complex oxide family, Ho2MnNiO6 occupies a unique position due to its specific combination of rare-earth and transition metal cations. Unlike simpler binary oxides, this quaternary system allows for complex magnetic and electronic interactions, positioning it as a distinct candidate for studies in multifunctional materials where thermodynamic stability is a prerequisite for reliable performance.
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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- alexandria — Data from Alexandria. Cite: Schmidt et al., npj Comput. Mater. 10, 200 (2024). (CC-BY-4.0)
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