Mg2SnO4
Mg2SnO4 is a thermodynamically stable, wide-gap oxide material frequently studied for its potential roles in optoelectronic and transparent conducting applications.
About Mg2SnO4
Mg2SnO4 is a complex ternary oxide that occupies a stable position on the thermodynamic convex hull. As a member of the transparent conducting oxide family, it exhibits wide-gap insulating behavior, making it a subject of interest for optoelectronic research and fundamental materials science studies.
Its structural versatility is evidenced by the numerous reported configurations across major materials databases. This diversity in atomic arrangement allows researchers to explore how subtle changes in the crystal lattice influence the electronic and optical response of the material in various thin-film applications.
Key Properties
Cross-validated computational properties for Mg2SnO4, 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 Mg2SnO4. 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 Mg2SnO4, 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. |
|---|---|---|---|---|---|
| Imma (No. 74) | orthorhombic | 2.53 | 0.0000 | -6.529 | 4.75 |
| — | — | 2.24 | 0.0151 | -2.515 | — |
| Fd-3m (No. 227) | cubic | 2.10 | 0.0276 | -2.476 | — |
| Fd-3m (No. 227) | cubic | 1.90 | 0.0278 | -6.501 | 4.70 |
| Pbam (No. 55) | orthorhombic | 3.02 | 0.0493 | -2.454 | — |
| — | — | 2.85 | 0.0619 | -2.468 | — |
| Pbam (No. 55) | orthorhombic | 2.64 | 0.0710 | -6.458 | 4.92 |
| Pbam (No. 55) | orthorhombic | — | — | — | 5.22 |
| Fd-3m (No. 227) | cubic | — | — | — | 4.70 |
| Fd-3m (No. 227) | cubic | — | — | — | 4.99 |
| Imma (No. 74) | orthorhombic | — | — | — | 4.58 |
| Fd-3m (No. 227) | cubic | — | — | — | 4.77 |
Synthesis Routes
Literature-extracted synthesis procedures targeting Mg2SnO4.
Applications
Where Mg2SnO4 is used.
Frequently Asked Questions
Common questions about Mg2SnO4, answered from cross-validated data.
What is Mg2SnO4?
Mg2SnO4 is a thermodynamically stable, wide-gap oxide material frequently studied for its potential roles in optoelectronic and transparent conducting applications.
What is Mg2SnO4 used for?
What is the band gap of Mg2SnO4?
Is Mg2SnO4 a metal, semiconductor, or insulator?
Is Mg2SnO4 thermodynamically stable?
What is the crystal structure of Mg2SnO4?
How many polymorphs of Mg2SnO4 are known?
How is Mg2SnO4 synthesized?
What elements does Mg2SnO4 contain?
Where does the data for Mg2SnO4 come from?
How It Compares
Within the transparent conducting oxides class.
Within the diverse group of transparent conducting oxides, Mg2SnO4 stands out as a highly stable ternary phase compared to more common binary oxides like ZnO or complex perovskites such as BaSnO3. While many members of this class are engineered specifically for high conductivity, Mg2SnO4 is primarily recognized for its robust stability and wide-gap characteristics, positioning it as a distinct alternative to spinel-structured siblings like ZnGa2O4 or Zn2SiO4.
Related Compounds
Other Transparent Conducting Oxides in the database.
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.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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