Sr2ZrO4
Strontium zirconate · SrZrO
Strontium zirconate is a ceramic material characterized by its perovskite-related structure. It is primarily utilized in advanced materials science research due to its stability and dielectric properties.
Key Properties
Cross-validated computational properties for Strontium zirconate, 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 Sr2ZrO4, 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. |
|---|---|---|---|---|---|
| I4/mmm (No. 139) | tetragonal | 2.77 | 0.0346 | -7.992 | 4.90 |
| I4/mmm (No. 139) | — | — | — | — | — |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 4.90 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 5.21 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 5.06 |
Applications
Where Strontium zirconate is used.
Frequently Asked Questions
Common questions about Strontium zirconate, answered from cross-validated data.
What is Sr2ZrO4?
Strontium zirconate is a ceramic material characterized by its perovskite-related structure. It is primarily utilized in advanced materials science research due to its stability and dielectric properties.
What is Sr2ZrO4 used for?
What is the band gap of Sr2ZrO4?
Is Sr2ZrO4 a metal, semiconductor, or insulator?
Is Sr2ZrO4 thermodynamically stable?
What is the crystal structure of Sr2ZrO4?
What is the density of Sr2ZrO4?
How many polymorphs of Sr2ZrO4 are known?
What elements does Sr2ZrO4 contain?
Where does the data for Sr2ZrO4 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.
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