Ba3Lu2MoO9
Ba3Lu2MoO9 is a thermodynamically stable semiconducting complex oxide containing barium, lutetium, molybdenum, and oxygen.
About Ba3Lu2MoO9
Ba3Lu2MoO9 is a complex oxide composed of barium, lutetium, molybdenum, and oxygen. As a thermodynamically stable compound residing on the convex hull, it represents a robust structural configuration within its chemical system.
This material exhibits semiconducting electronic characteristics, making it a subject of interest for researchers investigating functional oxides. Its structural stability across multiple reported databases highlights its significance as a well-defined phase in inorganic materials chemistry.
Key Properties
Cross-validated computational properties for Ba3Lu2MoO9, 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 Ba3Lu2MoO9, 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 | 1.90 | 0.0000 | -7.938 | 7.46 |
| — | — | — | — | — | 7.23 |
| — | — | — | — | — | 7.23 |
| P-3m1 (No. 164) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Ba3Lu2MoO9, answered from cross-validated data.
What is Ba3Lu2MoO9?
Ba3Lu2MoO9 is a thermodynamically stable semiconducting complex oxide containing barium, lutetium, molybdenum, and oxygen.
What is the band gap of Ba3Lu2MoO9?
Is Ba3Lu2MoO9 a metal, semiconductor, or insulator?
Is Ba3Lu2MoO9 thermodynamically stable?
What is the crystal structure of Ba3Lu2MoO9?
What is the density of Ba3Lu2MoO9?
How many polymorphs of Ba3Lu2MoO9 are known?
What elements does Ba3Lu2MoO9 contain?
Where does the data for Ba3Lu2MoO9 come from?
How It Compares
As a distinct complex oxide, Ba3Lu2MoO9 serves as a representative example of stable quaternary phases within its specific elemental system, providing a foundation for understanding the electronic and structural behavior of similar molybdenum-based oxides.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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