YMgMo3O8
YMgMo3O8 is a semiconducting quaternary oxide containing yttrium, magnesium, and molybdenum that is of interest for its complex structural properties.
About YMgMo3O8
YMgMo3O8 is a complex quaternary oxide incorporating yttrium, magnesium, and molybdenum. As a semiconducting material, it represents a specialized composition within the broader landscape of transition metal oxides, where the interplay between the metallic centers and the oxygen framework dictates its electronic behavior.
While this compound has been identified through structural investigations, it is characterized by a thermodynamic state that suggests it may be metastable or difficult to synthesize in bulk form. Its existence in structural databases underscores the ongoing effort to map the phase space of complex molybdenum-based oxides.
Key Properties
Cross-validated computational properties for YMgMo3O8, aggregated across 2 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 YMgMo3O8, 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 | 1.49 | 0.1152 | -8.585 | 5.00 |
| P1 (No. 1) | triclinic | 1.46 | 0.1200 | -8.581 | 4.96 |
| C2/m (No. 12) | monoclinic | 1.16 | 0.1856 | -8.515 | 5.15 |
| C2/m (No. 12) | monoclinic | 1.07 | 0.1892 | -8.511 | 4.76 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.76 |
| P1 (No. 1) | Triclinic | — | — | — | 5.58 |
| P1 (No. 1) | Triclinic | — | — | — | 4.96 |
| P1 (No. 1) | Triclinic | — | — | — | 5.21 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.11 |
| P1 (No. 1) | Triclinic | — | — | — | 5.61 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.53 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.57 |
Frequently Asked Questions
Common questions about YMgMo3O8, answered from cross-validated data.
What is YMgMo3O8?
YMgMo3O8 is a semiconducting quaternary oxide containing yttrium, magnesium, and molybdenum that is of interest for its complex structural properties.
What is the band gap of YMgMo3O8?
Is YMgMo3O8 a metal, semiconductor, or insulator?
Is YMgMo3O8 thermodynamically stable?
What is the crystal structure of YMgMo3O8?
What is the density of YMgMo3O8?
How many polymorphs of YMgMo3O8 are known?
What elements does YMgMo3O8 contain?
Where does the data for YMgMo3O8 come from?
How It Compares
As a unique quaternary oxide, YMgMo3O8 serves as a distinct point of study within the field of complex inorganic oxides. Unlike more common binary or ternary systems, this compound highlights the structural complexity that arises when incorporating multiple cations into a single lattice, providing a reference point for understanding the limits of stability in similar molybdenum-rich materials.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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