Ba6ZrO8
This compound is a complex oxide containing barium and zirconium. It is primarily studied for its structural properties and potential utility in advanced ceramic materials and solid-state chemistry research.
Key Properties
Cross-validated computational properties for Ba6ZrO8, 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 Ba6ZrO8, 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 | 2.69 | 0.0480 | -7.035 | 5.34 |
| Fm-3m (No. 225) | — | — | — | — | — |
| Fm-3m (No. 225) | Cubic | — | — | — | 5.34 |
| Fm-3m (No. 225) | Cubic | — | — | — | 5.68 |
| Fm-3m (No. 225) | Cubic | — | — | — | 5.54 |
Applications
Where Ba6ZrO8 is used.
Frequently Asked Questions
Common questions about Ba6ZrO8, answered from cross-validated data.
What is Ba6ZrO8?
This compound is a complex oxide containing barium and zirconium. It is primarily studied for its structural properties and potential utility in advanced ceramic materials and solid-state chemistry research.
What is Ba6ZrO8 used for?
What is the band gap of Ba6ZrO8?
Is Ba6ZrO8 a metal, semiconductor, or insulator?
Is Ba6ZrO8 thermodynamically stable?
What is the crystal structure of Ba6ZrO8?
What is the density of Ba6ZrO8?
How many polymorphs of Ba6ZrO8 are known?
What elements does Ba6ZrO8 contain?
Where does the data for Ba6ZrO8 come from?
Related Compounds
Other Perovskite Oxides 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.
Analyze Ba6ZrO8 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →