Cr2Hg2O9
This inorganic compound is a complex oxide containing mercury and chromium. It is primarily studied in the context of solid-state chemistry and materials research regarding metal oxide structures.
Overview
Key Properties
Cross-validated computational properties for Cr2Hg2O9, 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.
0.40 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.
0.162 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.
Above hull
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 Cr2Hg2O9, 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 | 0.40 | 0.1624 | -5.996 | 5.14 |
| C2/c (No. 15) | Monoclinic | — | — | — | 5.14 |
| C2/c (No. 15) | Monoclinic | — | — | — | 5.54 |
| C2/c (No. 15) | Monoclinic | — | — | — | 5.27 |
| C2/c (No. 15) | — | — | — | — | — |
Uses
Applications
Where Cr2Hg2O9 is used.
Materials science researchSolid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about Cr2Hg2O9, answered from cross-validated data.
What is Cr2Hg2O9?
This inorganic compound is a complex oxide containing mercury and chromium. It is primarily studied in the context of solid-state chemistry and materials research regarding metal oxide structures.
More questions
What is Cr2Hg2O9 used for?
Cr2Hg2O9 is used in materials science research and solid-state chemistry studies.
What is the band gap of Cr2Hg2O9?
Cr2Hg2O9 has a DFT-computed band gap of 0.40 eV across 5 reported structures.
Is Cr2Hg2O9 a metal, semiconductor, or insulator?
With a band gap up to 0.40 eV it is a semiconductor.
Is Cr2Hg2O9 thermodynamically stable?
Cr2Hg2O9 has a lowest energy above hull of 0.162 eV/atom (above hull).
What is the crystal structure of Cr2Hg2O9?
The lowest-energy reported polymorph of Cr2Hg2O9 is monoclinic symmetry, space group C2/c (No. 15).
What is the density of Cr2Hg2O9?
The computed density of the ground-state structure of Cr2Hg2O9 is 5.14 g/cm³.
How many polymorphs of Cr2Hg2O9 are known?
5 structures of Cr2Hg2O9 are reported across 3 databases, spanning 1 distinct space group.
What elements does Cr2Hg2O9 contain?
Cr2Hg2O9 contains Cr, Hg, and O (3 elements).
Where does the data for Cr2Hg2O9 come from?
Cr2Hg2O9 data is cross-referenced from materials_project, mpaloe, jarvis.
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Related Compounds
Other Spinel Oxide Catalysts in the database.
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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