MgUO4
Magnesium uranium oxide is a thermodynamically stable semiconducting material composed of magnesium, uranium, and oxygen.
About MgUO4
Magnesium uranium oxide is a distinct inorganic compound that sits firmly on the convex hull, indicating high thermodynamic stability. Its semiconducting electronic character makes it an intriguing subject for fundamental studies into the behavior of uranium-based oxides in solid-state systems. With numerous reported structures across multiple databases, this material is well-documented within the scientific community. Its structural diversity provides a robust platform for researchers investigating the complex interactions between magnesium and uranium centers in crystalline lattices.
Key Properties
Cross-validated computational properties for MgUO4, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of MgUO4. 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.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for MgUO4, 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. |
|---|---|---|---|---|---|
| — | — | 2.89 | 0.0000 | -3.098 | — |
| Imma (No. 74) | orthorhombic | 1.82 | 0.0000 | -3.234 | — |
| Cmmm (No. 65) | orthorhombic | 1.68 | 0.0000 | -8.910 | 7.01 |
| Imma (No. 74) | orthorhombic | 1.69 | 0.0001 | -8.910 | 7.01 |
| Imma (No. 74) | orthorhombic | 1.95 | 0.0001 | -8.910 | 7.29 |
| Imma (No. 74) | orthorhombic | — | — | — | 7.28 |
| Cmmm (No. 65) | orthorhombic | — | — | — | 7.01 |
| Cmmm (No. 65) | orthorhombic | — | — | — | 7.36 |
| Imma (No. 74) | orthorhombic | — | — | — | 7.40 |
| Imma (No. 74) | orthorhombic | — | — | — | 7.01 |
| Cmmm (No. 65) | orthorhombic | — | — | — | 7.14 |
| Imma (No. 74) | orthorhombic | — | — | — | 7.01 |
Synthesis Routes
Literature-extracted synthesis procedures targeting MgUO4.
Applications
Where MgUO4 is used.
Frequently Asked Questions
Common questions about MgUO4, answered from cross-validated data.
What is MgUO4?
Magnesium uranium oxide is a thermodynamically stable semiconducting material composed of magnesium, uranium, and oxygen.
What is MgUO4 used for?
What is the band gap of MgUO4?
Is MgUO4 a metal, semiconductor, or insulator?
Is MgUO4 thermodynamically stable?
What is the crystal structure of MgUO4?
How many polymorphs of MgUO4 are known?
How is MgUO4 synthesized?
What elements does MgUO4 contain?
Where does the data for MgUO4 come from?
How It Compares
As a specialized uranium-bearing oxide, this compound serves as a unique reference point for understanding the structural chemistry of actinide-based ternary systems. It occupies a distinct niche in materials science, providing a stable framework for exploring how divalent cations influence the electronic properties of uranium oxide networks.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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