Ba12O4Sb16
Ba12O4Sb16 is a stable, semiconducting ternary compound consisting of barium, oxygen, and antimony.
About Ba12O4Sb16
Ba12O4Sb16 is a complex inorganic compound composed of barium, oxygen, and antimony. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement that maintains structural integrity under standard conditions.
This material exhibits semiconducting electronic character, making it an intriguing candidate for investigation in electronic and optoelectronic applications. Its unique stoichiometry suggests a specialized role in solid-state chemistry where precise control over electronic properties is required.
Key Properties
Cross-validated computational properties for Ba12O4Sb16, 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 Ba12O4Sb16, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 0.30 | 0.0000 | -4.766 | 5.42 |
| P21/c (No. 14) | — | — | — | — | — |
| — | — | — | — | — | 5.38 |
Applications
Where Ba12O4Sb16 is used.
Frequently Asked Questions
Common questions about Ba12O4Sb16, answered from cross-validated data.
What is Ba12O4Sb16?
Ba12O4Sb16 is a stable, semiconducting ternary compound consisting of barium, oxygen, and antimony.
What is Ba12O4Sb16 used for?
What is the band gap of Ba12O4Sb16?
Is Ba12O4Sb16 a metal, semiconductor, or insulator?
Is Ba12O4Sb16 thermodynamically stable?
What is the crystal structure of Ba12O4Sb16?
What is the density of Ba12O4Sb16?
How many polymorphs of Ba12O4Sb16 are known?
What elements does Ba12O4Sb16 contain?
Where does the data for Ba12O4Sb16 come from?
How It Compares
As a distinct ternary phase, Ba12O4Sb16 serves as a specialized example of antimony-based oxides. While it does not share its immediate structural class with other common compounds, its stability on the convex hull distinguishes it as a reliable target for experimental synthesis and further characterization within the broader landscape of complex semiconducting materials.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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