Ba1Cd2Sr1
Ba1Cd2Sr1 is a semimetallic ternary intermetallic compound composed of barium, cadmium, and strontium.
About Ba1Cd2Sr1
Ba1Cd2Sr1 is a complex intermetallic compound composed of barium, cadmium, and strontium. It exhibits a semimetallic electronic character, placing it in a unique regime where its conductive properties are influenced by a near-zero band gap. Due to its position above the thermodynamic hull, this compound is considered metastable. Its structural complexity is highlighted by the significant number of reported configurations found in crystallographic databases, reflecting the intricate bonding landscape of alkaline earth-cadmium systems.
Key Properties
Cross-validated computational properties for Ba1Cd2Sr1, 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 Ba1Cd2Sr1, 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 | 0.03 | 1.3737 | -0.316 | 0.36 |
| Imm2 (No. 44) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Ba1Cd2Sr1, answered from cross-validated data.
What is Ba1Cd2Sr1?
Ba1Cd2Sr1 is a semimetallic ternary intermetallic compound composed of barium, cadmium, and strontium.
What is the band gap of Ba1Cd2Sr1?
Is Ba1Cd2Sr1 a metal, semiconductor, or insulator?
Is Ba1Cd2Sr1 thermodynamically stable?
What is the crystal structure of Ba1Cd2Sr1?
What is the density of Ba1Cd2Sr1?
How many polymorphs of Ba1Cd2Sr1 are known?
What elements does Ba1Cd2Sr1 contain?
Where does the data for Ba1Cd2Sr1 come from?
How It Compares
As a unique intermetallic phase, Ba1Cd2Sr1 serves as a representative example of the structural diversity found in ternary systems containing heavy alkaline earth metals and cadmium. It occupies a specialized niche where its electronic behavior is defined by its semimetallic nature, distinguishing it from more common insulating or purely metallic alloys.
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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