Cr2Mg2
Cr2Mg2 is a metallic, metastable intermetallic compound formed from chromium and magnesium that exists in several distinct structural configurations.
About Cr2Mg2
Cr2Mg2 is a metallic intermetallic compound composed of chromium and magnesium. As a material characterized by its metallic electronic nature, it exhibits the typical conductivity and bonding features associated with transition metal-alkaline earth alloys. Its structural complexity is highlighted by the significant number of reported configurations across various databases. Currently, it is identified as a metastable phase that sits above the thermodynamic hull, suggesting that its formation requires specific synthesis conditions to overcome its inherent instability. This compound serves as an intriguing subject for researchers studying the phase stability and structural diversity of chromium-magnesium systems.
Key Properties
Cross-validated computational properties for Cr2Mg2, 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 Cr2Mg2, 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 | 0.5905 | -5.051 | 3.44 |
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.6041 | -5.038 | 3.38 |
| C2/m (No. 12) | — | — | — | — | — |
| — | — | — | — | — | 3.91 |
| Pmmn (No. 59) | — | — | — | — | — |
| — | — | — | — | — | 4.26 |
| P4/nmm (No. 129) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| P4/nmm (No. 129) | — | — | — | — | — |
| P4/nmm (No. 129) | — | — | — | — | — |
| Pmma (No. 51) | — | — | — | — | — |
| Cmcm (No. 63) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Cr2Mg2, answered from cross-validated data.
What is Cr2Mg2?
Cr2Mg2 is a metallic, metastable intermetallic compound formed from chromium and magnesium that exists in several distinct structural configurations.
What is the band gap of Cr2Mg2?
Is Cr2Mg2 a metal, semiconductor, or insulator?
Is Cr2Mg2 thermodynamically stable?
What is the crystal structure of Cr2Mg2?
What is the density of Cr2Mg2?
How many polymorphs of Cr2Mg2 are known?
What elements does Cr2Mg2 contain?
Where does the data for Cr2Mg2 come from?
How It Compares
As a unique intermetallic phase, Cr2Mg2 occupies a distinct position in the landscape of binary chromium-magnesium systems. Unlike more stable, naturally occurring alloys, this compound is notable for its metastable character, which distinguishes it from simpler, more robust phases typically found in equilibrium diagrams. Its existence across multiple structural databases underscores its role as a complex, albeit challenging, subject for computational and experimental materials science.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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