La2MoO6
Lanthanum molybdate · La2MoO6
Lanthanum molybdate is a complex oxide material known for its structural versatility and stability at elevated conditions. It is primarily investigated for its potential as a solid electrolyte component and as a catalyst in various chemical oxidation processes.
Key Properties
Cross-validated computational properties for Lanthanum molybdate, 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 La2MoO6, 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. |
|---|---|---|---|---|---|
| I41/acd (No. 142) | tetragonal | 2.79 | 0.0000 | -8.778 | 5.66 |
| P21/c (No. 14) | monoclinic | 2.50 | 0.0592 | -8.719 | 5.58 |
| I-42m (No. 121) | tetragonal | 3.60 | 0.0602 | -8.718 | 5.13 |
| R-3 (No. 148) | trigonal | 2.71 | 0.1410 | -8.637 | 5.85 |
| R-3 (No. 148) | — | — | — | — | — |
| I-42m (No. 121) | Tetragonal | — | — | — | 5.25 |
| I-42m (No. 121) | — | — | — | — | — |
| P21/c (No. 14) | Monoclinic | — | — | — | 5.73 |
| I-42m (No. 121) | — | — | — | — | — |
| R-3 (No. 148) | Trigonal | — | — | — | 5.85 |
| I-42m (No. 121) | Tetragonal | — | — | — | 5.13 |
| I-42m (No. 121) | Tetragonal | — | — | — | 5.53 |
Synthesis Routes
Literature-extracted synthesis procedures targeting La2MoO6.
Applications
Where Lanthanum molybdate is used.
Frequently Asked Questions
Common questions about Lanthanum molybdate, answered from cross-validated data.
What is La2MoO6?
Lanthanum molybdate is a complex oxide material known for its structural versatility and stability at elevated conditions. It is primarily investigated for its potential as a solid electrolyte component and as a catalyst in various chemical oxidation processes.
What is La2MoO6 used for?
What is the band gap of La2MoO6?
Is La2MoO6 a metal, semiconductor, or insulator?
Is La2MoO6 thermodynamically stable?
What is the crystal structure of La2MoO6?
What is the density of La2MoO6?
How many polymorphs of La2MoO6 are known?
How is La2MoO6 synthesized?
What elements does La2MoO6 contain?
Where does the data for La2MoO6 come from?
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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