HgWO4
HgWO4 is a semiconducting mercury tungstate compound that is considered thermodynamically accessible for experimental synthesis.
About HgWO4
HgWO4 is a ternary inorganic compound composed of mercury, tungsten, and oxygen. As a semiconducting material, it exhibits electronic properties that distinguish it from simple binary oxides, positioning it as a subject of interest for specialized optoelectronic or catalytic research.
Its status as a near-hull compound suggests that it is energetically accessible and likely synthesizable under controlled laboratory conditions. With multiple reported structures across major databases, it remains a material of significant structural interest for researchers exploring complex metal tungstates.
Key Properties
Cross-validated computational properties for HgWO4, 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 HgWO4, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 2.29 | 0.0243 | -7.158 | 8.55 |
| P21/c (No. 14) | monoclinic | 1.77 | 0.1054 | -7.077 | 9.29 |
| Cmce (No. 64) | orthorhombic | 0.98 | 0.2641 | -6.918 | 9.79 |
| Cmce (No. 64) | — | — | — | — | — |
| C2/c (No. 15) | — | — | — | — | — |
| C2/c (No. 15) | — | — | — | — | — |
| C2/c (No. 15) | Monoclinic | — | — | — | 9.59 |
| C2/c (No. 15) | Monoclinic | — | — | — | 8.55 |
| C2/c (No. 15) | Monoclinic | — | — | — | 8.78 |
Applications
Where HgWO4 is used.
Frequently Asked Questions
Common questions about HgWO4, answered from cross-validated data.
What is HgWO4?
HgWO4 is a semiconducting mercury tungstate compound that is considered thermodynamically accessible for experimental synthesis.
What is HgWO4 used for?
What is the band gap of HgWO4?
Is HgWO4 a metal, semiconductor, or insulator?
Is HgWO4 thermodynamically stable?
What is the crystal structure of HgWO4?
What is the density of HgWO4?
How many polymorphs of HgWO4 are known?
What elements does HgWO4 contain?
Where does the data for HgWO4 come from?
How It Compares
As a unique ternary oxide, HgWO4 represents a distinct structural configuration within the broader family of metal tungstates. It serves as a critical reference point for understanding how mercury integration influences the stability and semiconducting behavior of heavy-metal-based inorganic frameworks.
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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