Ba3SrO4
Ba3SrO4 is a metastable semiconducting oxide containing barium, strontium, and oxygen.
About Ba3SrO4
Ba3SrO4 is a complex oxide composed of barium, strontium, and oxygen. As a semiconducting material, it occupies a unique niche in solid-state chemistry, offering distinct electronic properties that differentiate it from simple binary oxides. Its existence as a metastable phase suggests a complex energy landscape that requires precise synthesis conditions to stabilize its crystal lattice.
Given its status as a multi-component oxide, this compound is of significant interest for fundamental materials science studies. Its electronic character makes it a candidate for specialized research into semiconductor behavior within complex alkaline-earth oxide systems, contributing to the broader understanding of structural diversity in this chemical family.
Key Properties
Cross-validated computational properties for Ba3SrO4, 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 Ba3SrO4, 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. |
|---|---|---|---|---|---|
| Pm-3m (No. 221) | cubic | 2.17 | 0.0368 | -6.255 | 5.53 |
| Pm-3m (No. 221) | Cubic | — | — | — | 5.53 |
| Pm-3m (No. 221) | Cubic | — | — | — | 5.83 |
| Pm-3m (No. 221) | Cubic | — | — | — | 5.75 |
| Pm-3m (No. 221) | — | — | — | — | — |
Applications
Where Ba3SrO4 is used.
Frequently Asked Questions
Common questions about Ba3SrO4, answered from cross-validated data.
What is Ba3SrO4?
Ba3SrO4 is a metastable semiconducting oxide containing barium, strontium, and oxygen.
What is Ba3SrO4 used for?
What is the band gap of Ba3SrO4?
Is Ba3SrO4 a metal, semiconductor, or insulator?
Is Ba3SrO4 thermodynamically stable?
What is the crystal structure of Ba3SrO4?
What is the density of Ba3SrO4?
How many polymorphs of Ba3SrO4 are known?
What elements does Ba3SrO4 contain?
Where does the data for Ba3SrO4 come from?
How It Compares
As a specialized ternary oxide, Ba3SrO4 represents a unique structural arrangement within the broader landscape of alkaline-earth oxides. Unlike more common, highly stable binary oxides, this compound occupies a metastable state, highlighting the intricate balance of ionic interactions that define its specific structural configuration.
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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