CaMg
Calcium magnesium is an intermetallic compound formed from alkaline earth metals. It is primarily studied for its structural properties and potential roles in advanced metallurgical alloying processes.
CaMg
Overview
Key Properties
Cross-validated computational properties for CaMg, 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.
0.03–0.55 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.
0.016 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.
Near hull (likely stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
112
3 databases, 20 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for CaMg, 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. |
|---|---|---|---|---|---|
| Pm-3m (No. 221) | cubic | 0.00 | 0.0156 | -5.676 | 1.71 |
| Pmma (No. 51) | orthorhombic | 0.00 | 0.0176 | -5.674 | 1.70 |
| Pmma (No. 51) | orthorhombic | 0.00 | 0.0232 | -5.669 | 1.74 |
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.0241 | -5.668 | 1.71 |
| Amm2 (No. 38) | orthorhombic | 0.08 | 0.0465 | -5.645 | 1.70 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0478 | -5.644 | 1.70 |
| Cm (No. 8) | monoclinic | 0.00 | 0.0664 | -5.625 | 1.67 |
| Amm2 (No. 38) | orthorhombic | 0.55 | 0.0670 | -5.625 | 1.71 |
| Amm2 (No. 38) | orthorhombic | 0.16 | 0.0678 | -5.624 | 1.71 |
| Cm (No. 8) | monoclinic | 0.00 | 0.0802 | -5.612 | 1.67 |
| C2 (No. 5) | monoclinic | 0.00 | 0.0935 | -5.598 | 1.68 |
| Cm (No. 8) | monoclinic | 0.00 | 0.1163 | -5.576 | 1.66 |
Uses
Applications
Where CaMg is used.
Metallurgical researchAlloy developmentMaterials science studies
Reference
Frequently Asked Questions
Common questions about CaMg, answered from cross-validated data.
What is CaMg?
Calcium magnesium is an intermetallic compound formed from alkaline earth metals. It is primarily studied for its structural properties and potential roles in advanced metallurgical alloying processes.
More questions
What is CaMg used for?
CaMg is used in metallurgical research, alloy development, and materials science studies.
What is the band gap of CaMg?
CaMg has a DFT-computed band gap of 0.03–0.55 eV across 112 reported structures.
Is CaMg a metal, semiconductor, or insulator?
With a band gap up to 0.55 eV it is a semiconductor.
Is CaMg thermodynamically stable?
CaMg has a lowest energy above hull of 0.016 eV/atom (near hull (likely stable)).
What is the crystal structure of CaMg?
The lowest-energy reported polymorph of CaMg is cubic symmetry, space group Pm-3m (No. 221).
What is the density of CaMg?
The computed density of the ground-state structure of CaMg is 1.71 g/cm³.
How many polymorphs of CaMg are known?
112 structures of CaMg are reported across 3 databases, spanning 20 distinct space groups.
What elements does CaMg contain?
CaMg contains Ca and Mg (2 elements).
Where does the data for CaMg come from?
CaMg data is cross-referenced from materials_project, jarvis, mpaloe.
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).
- mpaloe — Data from mpaloe.
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