Ho2MgTiO6
Ho2MgTiO6 is a wide-band-gap insulating quaternary oxide that exhibits high thermodynamic stability and potential for specialized dielectric applications.
About Ho2MgTiO6
Ho2MgTiO6 is a complex quaternary oxide characterized by its wide-band-gap insulating electronic profile. Its structural arrangement, involving holmium, magnesium, and titanium, suggests a stable configuration that is well-positioned for potential synthesis and experimental investigation.
As a material with near-hull thermodynamic stability, this compound represents a significant target for researchers exploring novel dielectric or functional oxides. Its electronic nature makes it particularly interesting for applications requiring high-resistance materials that can maintain structural integrity under various conditions.
Key Properties
Cross-validated computational properties for Ho2MgTiO6, 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 Ho2MgTiO6. 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 Ho2MgTiO6, 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 | 3.21 | 0.0000 | -3.582 | — |
| P21/c (No. 14) | monoclinic | 3.20 | 0.0162 | -8.545 | 7.16 |
| — | — | 3.10 | 0.0722 | -3.459 | — |
| P21/c (No. 14) | monoclinic | — | — | — | 7.16 |
| P21/c (No. 14) | monoclinic | — | — | — | 7.57 |
| P21/c (No. 14) | monoclinic | — | — | — | 7.34 |
Applications
Where Ho2MgTiO6 is used.
Frequently Asked Questions
Common questions about Ho2MgTiO6, answered from cross-validated data.
What is Ho2MgTiO6?
Ho2MgTiO6 is a wide-band-gap insulating quaternary oxide that exhibits high thermodynamic stability and potential for specialized dielectric applications.
What is Ho2MgTiO6 used for?
What is the band gap of Ho2MgTiO6?
Is Ho2MgTiO6 a metal, semiconductor, or insulator?
Is Ho2MgTiO6 thermodynamically stable?
What is the crystal structure of Ho2MgTiO6?
How many polymorphs of Ho2MgTiO6 are known?
What elements does Ho2MgTiO6 contain?
Where does the data for Ho2MgTiO6 come from?
How It Compares
As a unique quaternary oxide, Ho2MgTiO6 occupies a specialized niche within the landscape of complex insulating materials. While it lacks direct structural siblings in this specific dataset, its favorable stability profile distinguishes it as a highly viable candidate for synthesis compared to more metastable or exotic phases.
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)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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