Mo8Nd4O30
Mo8Nd4O30 is a thermodynamically stable, insulating complex oxide containing molybdenum and neodymium.
About Mo8Nd4O30
Mo8Nd4O30 is a complex oxide composed of molybdenum, neodymium, and oxygen. As a thermodynamically stable compound residing on the convex hull, it represents a robust phase within its chemical system, characterized by a wide-band-gap insulating electronic nature.
This material is of significant interest in solid-state chemistry due to its structural complexity. Its stable configuration makes it a subject of study for researchers investigating the interplay between rare-earth elements and transition metal oxides in advanced electronic or ceramic applications.
Key Properties
Cross-validated computational properties for Mo8Nd4O30, 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 Mo8Nd4O30, 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-1 (No. 2) | triclinic | 2.58 | 0.0000 | -8.554 | 4.57 |
| P-1 (No. 2) | triclinic | 3.24 | 0.0132 | -8.541 | 4.71 |
| P-1 (No. 2) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 2.35 |
Applications
Where Mo8Nd4O30 is used.
Frequently Asked Questions
Common questions about Mo8Nd4O30, answered from cross-validated data.
What is Mo8Nd4O30?
Mo8Nd4O30 is a thermodynamically stable, insulating complex oxide containing molybdenum and neodymium.
What is Mo8Nd4O30 used for?
What is the band gap of Mo8Nd4O30?
Is Mo8Nd4O30 a metal, semiconductor, or insulator?
Is Mo8Nd4O30 thermodynamically stable?
What is the crystal structure of Mo8Nd4O30?
What is the density of Mo8Nd4O30?
How many polymorphs of Mo8Nd4O30 are known?
What elements does Mo8Nd4O30 contain?
Where does the data for Mo8Nd4O30 come from?
How It Compares
As a member of the complex molybdate family, Mo8Nd4O30 serves as a distinct example of how rare-earth ions can stabilize intricate molybdenum-oxygen frameworks. While many similar compounds exhibit varied electronic behaviors, this specific phase is notable for its insulating character and thermodynamic stability, positioning it as a reliable building block in the broader landscape of multi-component oxide 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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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