Ho2O8Ta2
Ho2O8Ta2 is a thermodynamically stable, insulating complex oxide containing holmium, oxygen, and tantalum.
About Ho2O8Ta2
Ho2O8Ta2 is a complex oxide composed of holmium, oxygen, and tantalum. As a thermodynamically stable phase residing on the convex hull, it represents a robust crystalline arrangement that maintains structural integrity under standard conditions. Its electronic character as a wide-band-gap insulator makes it a subject of interest for dielectric and optical applications where electrical conductivity must be minimized.
This material is characterized by a significant degree of structural diversity, with multiple reported configurations across various databases. This data richness highlights the compound's versatility and the complex coordination environments possible within the holmium-tantalum-oxygen system, providing a foundation for future research into its specific physical and chemical behaviors.
Key Properties
Cross-validated computational properties for Ho2O8Ta2, 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 Ho2O8Ta2, 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. |
|---|---|---|---|---|---|
| P2/c (No. 13) | monoclinic | 4.04 | 0.0000 | -9.779 | 9.35 |
| C2/c (No. 15) | monoclinic | 4.05 | 0.0044 | -9.775 | 9.36 |
| P4/mmm (No. 123) | tetragonal | 1.59 | 0.2508 | -9.528 | 10.04 |
| — | — | — | — | — | 8.02 |
| P2/c (No. 13) | — | — | — | — | — |
| C2/c (No. 15) | — | — | — | — | — |
| — | — | — | — | — | 8.97 |
| — | — | — | — | — | 8.77 |
| — | — | — | — | — | 8.29 |
Applications
Where Ho2O8Ta2 is used.
Frequently Asked Questions
Common questions about Ho2O8Ta2, answered from cross-validated data.
What is Ho2O8Ta2?
Ho2O8Ta2 is a thermodynamically stable, insulating complex oxide containing holmium, oxygen, and tantalum.
What is Ho2O8Ta2 used for?
What is the band gap of Ho2O8Ta2?
Is Ho2O8Ta2 a metal, semiconductor, or insulator?
Is Ho2O8Ta2 thermodynamically stable?
What is the crystal structure of Ho2O8Ta2?
What is the density of Ho2O8Ta2?
How many polymorphs of Ho2O8Ta2 are known?
What elements does Ho2O8Ta2 contain?
Where does the data for Ho2O8Ta2 come from?
How It Compares
As a unique member of the holmium-tantalum-oxygen system, Ho2O8Ta2 serves as a stable reference point for understanding the interplay between rare-earth elements and transition metal oxides. Without direct structural siblings in this specific class, it stands as an essential baseline for investigating how the inclusion of holmium influences the insulating properties and lattice stability of tantalum-based oxide frameworks.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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