Ca2MgCd
Ca2MgCd is a stable, semimetallic ternary intermetallic compound composed of calcium, magnesium, and cadmium.
About Ca2MgCd
Ca2MgCd is a ternary intermetallic compound composed of calcium, magnesium, and cadmium. It exhibits a semimetallic electronic character, placing it in a unique position between traditional metals and semiconductors, which makes it a subject of interest for fundamental solid-state physics investigations.
Positioned near the thermodynamic hull, this material is considered a likely candidate for experimental synthesis. Its existence across multiple structural databases highlights its significance as a stable, well-characterized phase within the calcium-magnesium-cadmium ternary system.
Key Properties
Cross-validated computational properties for Ca2MgCd, 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 Ca2MgCd, 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 | 0.00 | 0.0138 | -1.840 | 3.07 |
| Immm (No. 71) | orthorhombic | 0.09 | 1.4983 | -0.356 | 0.22 |
| Fm-3m (No. 225) | Cubic | — | — | — | 3.03 |
| Fm-3m (No. 225) | Cubic | — | — | — | 3.07 |
| Fm-3m (No. 225) | Cubic | — | — | — | 3.08 |
| Fm-3m (No. 225) | — | — | — | — | — |
Applications
Where Ca2MgCd is used.
Frequently Asked Questions
Common questions about Ca2MgCd, answered from cross-validated data.
What is Ca2MgCd?
Ca2MgCd is a stable, semimetallic ternary intermetallic compound composed of calcium, magnesium, and cadmium.
What is Ca2MgCd used for?
What is the band gap of Ca2MgCd?
Is Ca2MgCd a metal, semiconductor, or insulator?
Is Ca2MgCd thermodynamically stable?
What is the crystal structure of Ca2MgCd?
What is the density of Ca2MgCd?
How many polymorphs of Ca2MgCd are known?
What elements does Ca2MgCd contain?
Where does the data for Ca2MgCd come from?
How It Compares
As a ternary intermetallic phase, Ca2MgCd represents a distinct structural configuration within its chemical system. It serves as a key reference point for understanding how the integration of alkaline earth and transition metals influences electronic properties in complex, near-zero-gap materials.
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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