CaHgO2
CaHgO2 is a thermodynamically stable semiconducting compound composed of calcium, mercury, and oxygen.
About CaHgO2
CaHgO2 is a thermodynamically stable inorganic compound that exists on the convex hull, indicating a robust structural arrangement. As a semiconductor, it possesses electronic properties that make it a subject of interest for specialized material applications where controlled charge transport is required.
Its presence in multiple structural databases highlights its significance in solid-state chemistry. The compound serves as a unique example of how alkaline earth metals and mercury can combine with oxygen to form stable, electronically active frameworks.
Key Properties
Cross-validated computational properties for CaHgO2, 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 CaHgO2, 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. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 2.13 | 0.0000 | -5.146 | 6.48 |
| R-3m (No. 166) | — | — | — | — | — |
| I-42d (No. 122) | — | — | — | — | — |
Frequently Asked Questions
Common questions about CaHgO2, answered from cross-validated data.
What is CaHgO2?
CaHgO2 is a thermodynamically stable semiconducting compound composed of calcium, mercury, and oxygen.
What is the band gap of CaHgO2?
Is CaHgO2 a metal, semiconductor, or insulator?
Is CaHgO2 thermodynamically stable?
What is the crystal structure of CaHgO2?
What is the density of CaHgO2?
How many polymorphs of CaHgO2 are known?
What elements does CaHgO2 contain?
Where does the data for CaHgO2 come from?
How It Compares
As a unique inorganic compound, CaHgO2 represents a distinct structural phase within its chemical system. Without direct structural siblings, it stands as a specialized material that demonstrates the potential for stable semiconducting behavior 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).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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