Mg2CoWO6
Mg2CoWO6 is a semiconducting complex oxide that is considered a promising candidate for synthesis due to its favorable thermodynamic stability.
About Mg2CoWO6
Mg2CoWO6 is a complex oxide composed of magnesium, cobalt, tungsten, and oxygen. As a semiconducting material, it exhibits electronic properties that make it a subject of interest for researchers investigating functional ceramics and specialized oxide systems.
Its thermodynamic profile places it near the stability hull, suggesting that it is a viable candidate for experimental synthesis. With multiple reported crystal structures across databases, it represents a well-documented inorganic compound within the broader landscape of transition metal-based oxides.
Key Properties
Cross-validated computational properties for Mg2CoWO6, 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 Mg2CoWO6. 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 Mg2CoWO6, 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. |
|---|---|---|---|---|---|
| R3 (No. 146) | trigonal | 2.62 | 0.0174 | -7.686 | 5.82 |
| P21/c (No. 14) | monoclinic | 2.43 | 0.0557 | -7.648 | 5.98 |
| P1 (No. 1) | triclinic | 0.00 | 0.0849 | -7.619 | 5.84 |
| — | — | 1.50 | 0.0959 | -2.366 | — |
| P21/c (No. 14) | monoclinic | 0.00 | 0.1761 | -2.235 | — |
| P1 (No. 1) | triclinic | — | — | — | 5.84 |
| P21/c (No. 14) | monoclinic | — | — | — | 5.98 |
| P1 (No. 1) | triclinic | — | — | — | 6.05 |
| P21/c (No. 14) | monoclinic | — | — | — | 6.25 |
| R3 (No. 146) | trigonal | — | — | — | 6.40 |
| P21/c (No. 14) | monoclinic | — | — | — | 6.60 |
Applications
Where Mg2CoWO6 is used.
Frequently Asked Questions
Common questions about Mg2CoWO6, answered from cross-validated data.
What is Mg2CoWO6?
Mg2CoWO6 is a semiconducting complex oxide that is considered a promising candidate for synthesis due to its favorable thermodynamic stability.
What is Mg2CoWO6 used for?
What is the band gap of Mg2CoWO6?
Is Mg2CoWO6 a metal, semiconductor, or insulator?
Is Mg2CoWO6 thermodynamically stable?
What is the crystal structure of Mg2CoWO6?
What is the density of Mg2CoWO6?
How many polymorphs of Mg2CoWO6 are known?
What elements does Mg2CoWO6 contain?
Where does the data for Mg2CoWO6 come from?
How It Compares
As a unique complex oxide, Mg2CoWO6 occupies a distinct space in materials research. While it shares structural characteristics with other multi-metal oxides, its specific combination of cobalt and tungsten within a magnesium-rich framework provides a specialized electronic environment that differentiates it from more common binary or ternary oxide systems.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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