Ca2GeHg
This compound is a ternary intermetallic material composed of calcium, germanium, and mercury. It is primarily studied in academic research settings to understand the structural and electronic properties of complex metal systems.
Key Properties
Cross-validated computational properties for Ca2GeHg, 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 Ca2GeHg, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.01 | 0.0128 | -19.989 | 5.77 |
| Immm (No. 71) | orthorhombic | 0.00 | 1.6359 | -18.365 | 0.43 |
| P4/mmm (No. 123) | — | — | — | — | — |
| — | — | — | — | — | 4.34 |
Applications
Where Ca2GeHg is used.
Frequently Asked Questions
Common questions about Ca2GeHg, answered from cross-validated data.
What is Ca2GeHg?
This compound is a ternary intermetallic material composed of calcium, germanium, and mercury. It is primarily studied in academic research settings to understand the structural and electronic properties of complex metal systems.
What is Ca2GeHg used for?
What is the band gap of Ca2GeHg?
Is Ca2GeHg a metal, semiconductor, or insulator?
Is Ca2GeHg thermodynamically stable?
What is the crystal structure of Ca2GeHg?
What is the density of Ca2GeHg?
How many polymorphs of Ca2GeHg are known?
What elements does Ca2GeHg contain?
Where does the data for Ca2GeHg come from?
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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