HgMoO4
Mercury molybdate is an inorganic compound that functions as a metal salt. It is primarily investigated for its potential role in advanced electronic components and specialized catalytic processes.
HgMoO
Overview
Key Properties
Cross-validated computational properties for HgMoO4, 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.
2.26 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
5
3 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for HgMoO4, 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 | 2.26 | 0.0000 | -6.698 | 7.25 |
| C2/c (No. 15) | — | — | — | — | — |
| C2/c (No. 15) | Monoclinic | — | — | — | 7.58 |
| C2/c (No. 15) | Monoclinic | — | — | — | 6.76 |
| C2/c (No. 15) | Monoclinic | — | — | — | 6.96 |
Uses
Applications
Where HgMoO4 is used.
Catalysis researchElectronic materials developmentChemical synthesis
Reference
Frequently Asked Questions
Common questions about HgMoO4, answered from cross-validated data.
What is HgMoO4?
Mercury molybdate is an inorganic compound that functions as a metal salt. It is primarily investigated for its potential role in advanced electronic components and specialized catalytic processes.
More questions
What is HgMoO4 used for?
HgMoO4 is used in catalysis research, electronic materials development, and chemical synthesis.
What is the band gap of HgMoO4?
HgMoO4 has a DFT-computed band gap of 2.26 eV across 5 reported structures.
Is HgMoO4 a metal, semiconductor, or insulator?
With a band gap up to 2.26 eV it is a semiconductor.
Is HgMoO4 thermodynamically stable?
Yes — HgMoO4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of HgMoO4?
The lowest-energy reported polymorph of HgMoO4 is monoclinic symmetry, space group C2/c (No. 15).
What is the density of HgMoO4?
The computed density of the ground-state structure of HgMoO4 is 7.25 g/cm³.
How many polymorphs of HgMoO4 are known?
5 structures of HgMoO4 are reported across 3 databases, spanning 1 distinct space group.
What elements does HgMoO4 contain?
HgMoO4 contains Hg, Mo, and O (3 elements).
Where does the data for HgMoO4 come from?
HgMoO4 data is cross-referenced from materials_project, jarvis, mpaloe.
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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