Ca1Mg2Sr1
Ca1Mg2Sr1 is an unstable, semimetallic intermetallic compound composed of calcium, magnesium, and strontium.
About Ca1Mg2Sr1
Ca1Mg2Sr1 is a complex intermetallic compound composed of calcium, magnesium, and strontium. It exhibits a near-zero-gap electronic structure, placing it in the category of semimetallic materials that often demonstrate unique charge carrier dynamics.
Due to its position above the thermodynamic hull, this compound is considered metastable or unstable under standard conditions. Its structural diversity is highlighted by a significant number of reported configurations within material databases, reflecting the intricate bonding environment created by its constituent alkaline earth metals.
Key Properties
Cross-validated computational properties for Ca1Mg2Sr1, aggregated across 2 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 Ca1Mg2Sr1, 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. |
|---|---|---|---|---|---|
| Immm (No. 71) | orthorhombic | 0.05 | 1.5966 | -6.122 | 0.17 |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Ca1Mg2Sr1, answered from cross-validated data.
What is Ca1Mg2Sr1?
Ca1Mg2Sr1 is an unstable, semimetallic intermetallic compound composed of calcium, magnesium, and strontium.
What is the band gap of Ca1Mg2Sr1?
Is Ca1Mg2Sr1 a metal, semiconductor, or insulator?
Is Ca1Mg2Sr1 thermodynamically stable?
What is the crystal structure of Ca1Mg2Sr1?
What is the density of Ca1Mg2Sr1?
How many polymorphs of Ca1Mg2Sr1 are known?
What elements does Ca1Mg2Sr1 contain?
Where does the data for Ca1Mg2Sr1 come from?
How It Compares
As a unique intermetallic phase containing three distinct alkaline earth metals, Ca1Mg2Sr1 represents a specialized case within its class. Unlike more stable binary or ternary alloys, its tendency to exist above the thermodynamic hull suggests a highly sensitive structural state that requires specific synthesis conditions to stabilize.
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).
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