Ca6HfO8
Ca6HfO8 is a wide-band-gap insulating oxide that serves as a specialized candidate for research into oxygen-ion conducting materials.
About Ca6HfO8
Ca6HfO8 is an insulating oxide belonging to the fluorite-related family of materials. Its structural arrangement and thermodynamic proximity to the stability hull make it a compelling subject for researchers investigating ion transport mechanisms in complex oxide systems. The compound is primarily studied for its potential role in high-temperature electrochemical applications where robust insulating properties are required. By leveraging its specific lattice configuration, scientists aim to tune oxygen vacancy mobility for improved performance in solid-state devices. This material represents a niche but significant entry in the exploration of hafnium-based ceramics for energy storage and conversion technologies.
Key Properties
Cross-validated computational properties for Ca6HfO8, 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 Ca6HfO8, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 4.15 | 0.0022 | -7.580 | 4.18 |
| Fm-3m (No. 225) | Cubic | — | — | — | 4.10 |
| Fm-3m (No. 225) | Cubic | — | — | — | 4.24 |
| Fm-3m (No. 225) | Cubic | — | — | — | 4.17 |
| Fm-3m (No. 225) | — | — | — | — | — |
Applications
Where Ca6HfO8 is used.
Frequently Asked Questions
Common questions about Ca6HfO8, answered from cross-validated data.
What is Ca6HfO8?
Ca6HfO8 is a wide-band-gap insulating oxide that serves as a specialized candidate for research into oxygen-ion conducting materials.
What is Ca6HfO8 used for?
What is the band gap of Ca6HfO8?
Is Ca6HfO8 a metal, semiconductor, or insulator?
Is Ca6HfO8 thermodynamically stable?
What is the crystal structure of Ca6HfO8?
What is the density of Ca6HfO8?
How many polymorphs of Ca6HfO8 are known?
What elements does Ca6HfO8 contain?
Where does the data for Ca6HfO8 come from?
How It Compares
Within the fluorite oxide-ion conductors class.
Within the class of fluorite oxide-ion conductors, Ca6HfO8 occupies a distinct structural space compared to pyrochlore-structured siblings like La2Zr2O7 or Y2Zr2O7. While many members of this class, such as CaHfO3 or Y2HfO5, are extensively characterized for their refractory properties, Ca6HfO8 is notable for its specific stoichiometry that deviates from the more common zirconate or hafnate compositions, offering a unique platform for studying ion conduction pathways in calcium-rich hafnate environments.
Related Compounds
Other Fluorite Oxide-Ion Conductors in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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