La2Mo2O9
lanthanum molybdate · LAMOX
Lanthanum molybdate is a complex oxide ceramic known for its high ionic conductivity at elevated temperatures. It is primarily researched and utilized as a solid electrolyte material for solid oxide fuel cells and oxygen sensors.
LaMoO
Overview
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.
3.07 eV
Range across DFT structures
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.
0.042 eV/atom
Best (lowest) across sources
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.
Metastable
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
5
3 databases, 2 space groups
Validation
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of La2Mo2O9. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
1.00 / 1.00
Trust tier: medium
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
0.000 eV
EAH spread across sources
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
1
materials_project
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
All match
Crystallography
Reported Structures
Lowest-energy structures reported for La2Mo2O9, 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. |
|---|---|---|---|---|---|
| P1 (No. 1) | triclinic | 3.07 | 0.0422 | -8.647 | 5.24 |
| No. 0 | unknown | — | — | — | 2.78 |
| P1 (No. 1) | Triclinic | — | — | — | 5.76 |
| P1 (No. 1) | Triclinic | — | — | — | 5.24 |
| P1 (No. 1) | Triclinic | — | — | — | 5.38 |
Synthesis
Synthesis Routes
Literature-extracted synthesis procedures targeting La2Mo2O9.
Sol-Gel
Procedure available · ceder_solid_state
Sol-Gel
Procedure available · ceder_solid_state
Sol-Gel
Procedure available · ceder_solid_state
Sol-Gel
Procedure available · ceder_solid_state
Sol-Gel
Procedure available · ceder_solid_state
Sol-Gel
Procedure available · ceder_solid_state
Uses
Applications
Where lanthanum molybdate is used.
solid oxide fuel cellsoxygen sensorsoxygen separation membranes
Reference
Frequently Asked Questions
Common questions about lanthanum molybdate, answered from cross-validated data.
What is La2Mo2O9?
Lanthanum molybdate is a complex oxide ceramic known for its high ionic conductivity at elevated temperatures. It is primarily researched and utilized as a solid electrolyte material for solid oxide fuel cells and oxygen sensors.
More questions
What is La2Mo2O9 used for?
lanthanum molybdate (La2Mo2O9) is used in solid oxide fuel cells, oxygen sensors, and oxygen separation membranes.
What is the band gap of La2Mo2O9?
lanthanum molybdate (La2Mo2O9) has a DFT-computed band gap of 3.07 eV across 5 reported structures.
Is La2Mo2O9 a metal, semiconductor, or insulator?
With a wide band gap up to 3.07 eV it is an insulator / wide-band-gap material.
Is La2Mo2O9 thermodynamically stable?
lanthanum molybdate (La2Mo2O9) has a lowest energy above hull of 0.042 eV/atom (metastable).
What is the crystal structure of La2Mo2O9?
The lowest-energy reported polymorph of lanthanum molybdate (La2Mo2O9) is triclinic symmetry, space group P1 (No. 1).
What is the density of La2Mo2O9?
The computed density of the ground-state structure of lanthanum molybdate (La2Mo2O9) is 5.24 g/cm³.
How many polymorphs of La2Mo2O9 are known?
5 structures of La2Mo2O9 are reported across 3 databases, spanning 2 distinct space groups.
How is La2Mo2O9 synthesized?
Literature-reported routes for La2Mo2O9 include sol-gel (7 procedures documented).
What elements does La2Mo2O9 contain?
lanthanum molybdate (La2Mo2O9) contains La, Mo, and O (3 elements).
Where does the data for La2Mo2O9 come from?
La2Mo2O9 data is cross-referenced from materials_project, cod, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- mpaloe — Data from mpaloe.
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