HgAsO4
HgAsO4 is a semiconducting mercury arsenate compound known for its structural complexity and metastable nature.
About HgAsO4
HgAsO4 is a complex inorganic compound composed of mercury, arsenic, and oxygen. As a semiconducting material, it exhibits electronic properties that distinguish it from simple metallic oxides, positioning it as a subject of interest for fundamental solid-state research. The compound is characterized by a significant degree of structural diversity, as evidenced by its multiple reported configurations across various databases. Because it resides above the thermodynamic hull, it is considered a metastable phase, which often necessitates specific synthesis conditions to stabilize its crystalline framework.
Key Properties
Cross-validated computational properties for HgAsO4, 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 HgAsO4, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 0.10 | 0.2579 | -5.092 | 5.51 |
| P21/c (No. 14) | monoclinic | 0.00 | 0.2695 | -5.080 | 5.34 |
| P-6m2 (No. 187) | Hexagonal | — | — | — | 10.06 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 6.05 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 6.88 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 5.64 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 9.00 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 7.17 |
| P21/c (No. 14) | — | — | — | — | — |
Frequently Asked Questions
Common questions about HgAsO4, answered from cross-validated data.
What is HgAsO4?
HgAsO4 is a semiconducting mercury arsenate compound known for its structural complexity and metastable nature.
What is the band gap of HgAsO4?
Is HgAsO4 a metal, semiconductor, or insulator?
Is HgAsO4 thermodynamically stable?
What is the crystal structure of HgAsO4?
What is the density of HgAsO4?
How many polymorphs of HgAsO4 are known?
What elements does HgAsO4 contain?
Where does the data for HgAsO4 come from?
How It Compares
As a unique inorganic species, HgAsO4 serves as a distinct representative of mercury-based arsenates. While it lacks direct structural siblings in this specific dataset, its role within the broader class of metal arsenates highlights the complex interplay between heavy metal cations and oxyanion frameworks in determining electronic and stability profiles.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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