Ba3In2MoO9
Ba3In2MoO9 is a stable, semiconducting complex oxide composed of barium, indium, molybdenum, and oxygen.
About Ba3In2MoO9
Ba3In2MoO9 is a complex oxide composed of barium, indium, molybdenum, and oxygen. As a thermodynamically stable compound residing on the convex hull, it represents a robust structural configuration within its chemical system, making it a subject of interest for fundamental materials research.
This material exhibits semiconducting electronic character, which positions it as a candidate for specialized electronic or optoelectronic applications. With multiple reported structures across various databases, it is a well-documented phase that offers researchers a reliable platform for exploring complex oxide behavior.
Key Properties
Cross-validated computational properties for Ba3In2MoO9, 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 Ba3In2MoO9, 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. |
|---|---|---|---|---|---|
| P-3m1 (No. 164) | trigonal | 1.83 | 0.0000 | -6.964 | 6.51 |
| P-3m1 (No. 164) | — | — | — | — | — |
| — | — | — | — | — | 5.13 |
| — | — | — | — | — | 4.09 |
Applications
Where Ba3In2MoO9 is used.
Frequently Asked Questions
Common questions about Ba3In2MoO9, answered from cross-validated data.
What is Ba3In2MoO9?
Ba3In2MoO9 is a stable, semiconducting complex oxide composed of barium, indium, molybdenum, and oxygen.
What is Ba3In2MoO9 used for?
What is the band gap of Ba3In2MoO9?
Is Ba3In2MoO9 a metal, semiconductor, or insulator?
Is Ba3In2MoO9 thermodynamically stable?
What is the crystal structure of Ba3In2MoO9?
What is the density of Ba3In2MoO9?
How many polymorphs of Ba3In2MoO9 are known?
What elements does Ba3In2MoO9 contain?
Where does the data for Ba3In2MoO9 come from?
How It Compares
As a unique complex oxide, Ba3In2MoO9 serves as a distinct example of how the integration of heavy alkaline earth metals with transition metals and post-transition metals can yield stable, semiconducting architectures that are essential for developing new functional materials.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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