CaHfO3
calcium hafnate · calcium hafnium oxide
Calcium hafnate is a stable, insulating oxide material utilized in high-performance dielectric and refractory technologies.
About calcium hafnate
Calcium hafnate is a thermodynamically stable inorganic compound that functions as a wide-band-gap insulator. Its robust structural integrity and electronic properties make it a subject of significant interest for high-performance dielectric and thermal barrier applications.
As a member of the fluorite-related oxide family, this material is valued for its chemical stability in demanding environments. It is frequently investigated for its potential in microelectronics and as a specialized refractory component where insulating performance is critical.
Key Properties
Cross-validated computational properties for calcium hafnate, 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.
Reported Structures
Lowest-energy structures reported for CaHfO3, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 4.49 | 0.0000 | -9.182 | 7.02 |
| Pm-3m (No. 221) | cubic | 3.66 | 0.1601 | -9.022 | 6.58 |
| Pnma (No. 62) | — | — | — | — | — |
| Pm-3m (No. 221) | — | — | — | — | — |
| Pnma (No. 62) | Orthorhombic | — | — | — | 6.86 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 7.23 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 7.03 |
| Pm-3m (No. 221) | — | — | — | — | — |
| Pm-3m (No. 221) | Cubic | — | — | — | 6.40 |
| Pm-3m (No. 221) | Cubic | — | — | — | 6.80 |
| — | — | — | — | — | — |
| Pm-3m (No. 221) | Cubic | — | — | — | 6.58 |
Applications
Where calcium hafnate is used.
Frequently Asked Questions
Common questions about calcium hafnate, answered from cross-validated data.
What is CaHfO3?
Calcium hafnate is a stable, insulating oxide material utilized in high-performance dielectric and refractory technologies.
What is CaHfO3 used for?
What is the band gap of CaHfO3?
Is CaHfO3 a metal, semiconductor, or insulator?
Is CaHfO3 thermodynamically stable?
What is the crystal structure of CaHfO3?
What is the density of CaHfO3?
How many polymorphs of CaHfO3 are known?
What elements does CaHfO3 contain?
Where does the data for CaHfO3 come from?
How It Compares
Within the fluorite oxide-ion conductors class.
Within the diverse group of fluorite-related oxide-ion conductors, calcium hafnate stands out as a highly stable insulating counterpart to more conductive or defect-rich members like Y2Zr2O7 or La2Zr2O7. While many siblings in this class are engineered specifically for ionic transport, CaHfO3 is primarily recognized for its structural resilience and dielectric utility, distinguishing it from the pyrochlore-structured zirconates.
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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
- alexandria — Data from alexandria.
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