Bi1Ca1Mg1
Bi1Ca1Mg1 is a thermodynamically stable, semiconducting intermetallic compound formed from bismuth, calcium, and magnesium.
About Bi1Ca1Mg1
Bi1Ca1Mg1 is a distinct intermetallic compound composed of bismuth, calcium, and magnesium. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement within its elemental system. Its electronic character as a semiconductor makes it an intriguing candidate for specialized electronic and thermoelectric research applications. The material is characterized by a significant degree of structural diversity, as evidenced by the multiple reported configurations found in crystallographic databases. This structural flexibility suggests a complex bonding environment that warrants further investigation into its physical properties and potential for functional device integration.
Key Properties
Cross-validated computational properties for Bi1Ca1Mg1, 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 Bi1Ca1Mg1, 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. |
|---|---|---|---|---|---|
| P-3m1 (No. 164) | trigonal | 0.39 | 0.0000 | -3.126 | 4.99 |
| No. 0 | unknown | — | — | — | 3.07 |
| P3m1 (No. 156) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| Fmm2 (No. 42) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| P3m1 (No. 156) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| I4mm (No. 107) | — | — | — | — | — |
| I4mm (No. 107) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 3.05 |
Applications
Where Bi1Ca1Mg1 is used.
Frequently Asked Questions
Common questions about Bi1Ca1Mg1, answered from cross-validated data.
What is Bi1Ca1Mg1?
Bi1Ca1Mg1 is a thermodynamically stable, semiconducting intermetallic compound formed from bismuth, calcium, and magnesium.
What is Bi1Ca1Mg1 used for?
What is the band gap of Bi1Ca1Mg1?
Is Bi1Ca1Mg1 a metal, semiconductor, or insulator?
Is Bi1Ca1Mg1 thermodynamically stable?
What is the crystal structure of Bi1Ca1Mg1?
What is the density of Bi1Ca1Mg1?
How many polymorphs of Bi1Ca1Mg1 are known?
What elements does Bi1Ca1Mg1 contain?
Where does the data for Bi1Ca1Mg1 come from?
How It Compares
As a unique intermetallic phase, Bi1Ca1Mg1 serves as a foundational reference point for exploring the ternary interactions between bismuth, calcium, and magnesium. Without direct structural siblings in this specific class, it stands as a primary subject for understanding how these elements combine to form stable, semiconducting architectures in the solid state.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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