Ca2Mg
Ca2Mg is a semiconducting intermetallic compound of calcium and magnesium that is considered a promising candidate for experimental synthesis.
About Ca2Mg
Ca2Mg is a semiconducting intermetallic compound composed of calcium and magnesium. Its position near the thermodynamic hull suggests that it is a viable candidate for experimental synthesis and further structural investigation.
With a high degree of data richness across multiple databases, this compound serves as an important subject for researchers studying binary alkaline earth metal alloys. Its electronic character makes it an intriguing focus for exploring semiconducting behavior in metallic systems.
Key Properties
Cross-validated computational properties for Ca2Mg, aggregated across 4 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 Ca2Mg, 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/m (No. 12) | monoclinic | 0.00 | 0.0134 | -6.127 | 1.65 |
| I4/mmm (No. 139) | tetragonal | 0.00 | 0.0155 | -6.125 | 1.63 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0173 | -6.123 | 1.64 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.0248 | -6.116 | 1.63 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0352 | -6.106 | 1.63 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0369 | -6.104 | 1.63 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.0387 | -6.102 | 1.68 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.0422 | -6.098 | 1.64 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.0465 | -6.094 | 1.66 |
| P-62m (No. 189) | hexagonal | 0.00 | 0.0738 | -6.067 | 1.65 |
| C2/c (No. 15) | monoclinic | 0.00 | 0.0776 | -6.063 | 1.64 |
| R32 (No. 155) | trigonal | 0.00 | 0.0835 | -6.057 | 1.63 |
Applications
Where Ca2Mg is used.
Frequently Asked Questions
Common questions about Ca2Mg, answered from cross-validated data.
What is Ca2Mg?
Ca2Mg is a semiconducting intermetallic compound of calcium and magnesium that is considered a promising candidate for experimental synthesis.
What is Ca2Mg used for?
What is the band gap of Ca2Mg?
Is Ca2Mg a metal, semiconductor, or insulator?
Is Ca2Mg thermodynamically stable?
What is the crystal structure of Ca2Mg?
What is the density of Ca2Mg?
How many polymorphs of Ca2Mg are known?
What elements does Ca2Mg contain?
Where does the data for Ca2Mg come from?
How It Compares
As a binary intermetallic compound, Ca2Mg occupies a distinct space in materials science, serving as a primary reference point for understanding the structural phase space of calcium-magnesium alloys.
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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