Hg2W2O7
Hg2W2O7 is a semiconducting mercury tungsten oxide that is considered a promising candidate for experimental synthesis.
About Hg2W2O7
Hg2W2O7 is a complex oxide containing mercury and tungsten. As a semiconducting material, it occupies a unique niche in inorganic chemistry, offering specific electronic properties that differentiate it from simple binary oxides. Its existence as a near-hull phase suggests that it is a viable candidate for experimental synthesis and further characterization.
This compound is notable for its structural diversity, with multiple reported configurations across various databases. Its stability profile indicates that it can be successfully accessed under controlled laboratory conditions, making it an intriguing subject for researchers investigating the interplay between heavy metal cations and transition metal oxide frameworks.
Key Properties
Cross-validated computational properties for Hg2W2O7, 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 Hg2W2O7, 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. |
|---|---|---|---|---|---|
| P2/c (No. 13) | monoclinic | 2.06 | 0.0075 | -7.272 | 8.78 |
| P-1 (No. 2) | triclinic | 2.29 | 0.0086 | -7.271 | 8.81 |
| C2/c (No. 15) | monoclinic | 2.15 | 0.0089 | -7.271 | 8.47 |
| P-1 (No. 2) | triclinic | 2.22 | 0.0434 | -7.236 | 7.83 |
| P-1 (No. 2) | triclinic | 0.00 | 4.6001 | -2.680 | 8.38 |
| P2/c (No. 13) | — | — | — | — | — |
| P2/c (No. 13) | Monoclinic | — | — | — | 8.36 |
| P2/c (No. 13) | Monoclinic | — | — | — | 9.40 |
| P2/c (No. 13) | Monoclinic | — | — | — | 8.61 |
| P-1 (No. 2) | Triclinic | — | — | — | 7.83 |
| P-1 (No. 2) | Triclinic | — | — | — | 9.44 |
| P-1 (No. 2) | Triclinic | — | — | — | 8.38 |
Applications
Where Hg2W2O7 is used.
Frequently Asked Questions
Common questions about Hg2W2O7, answered from cross-validated data.
What is Hg2W2O7?
Hg2W2O7 is a semiconducting mercury tungsten oxide that is considered a promising candidate for experimental synthesis.
What is Hg2W2O7 used for?
What is the band gap of Hg2W2O7?
Is Hg2W2O7 a metal, semiconductor, or insulator?
Is Hg2W2O7 thermodynamically stable?
What is the crystal structure of Hg2W2O7?
What is the density of Hg2W2O7?
How many polymorphs of Hg2W2O7 are known?
What elements does Hg2W2O7 contain?
Where does the data for Hg2W2O7 come from?
How It Compares
As a distinct mercury-based tungstate, Hg2W2O7 represents an specialized entry in the broader landscape of ternary transition metal oxides. While it does not share a direct structural family with more common perovskite or spinel oxides, its semiconducting nature and near-hull stability position it as a significant target for studies focused on electronic tuning and structural phase transitions in complex oxide systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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