Ba2Cd1Ge1
Ba2Cd1Ge1 is a semimetallic ternary compound composed of barium, cadmium, and germanium that exhibits significant structural diversity.
About Ba2Cd1Ge1
Ba2Cd1Ge1 is a complex ternary intermetallic compound composed of barium, cadmium, and germanium. Its electronic structure is characterized as a near-zero-gap semimetal, placing it in a unique position between metallic conductors and semiconducting materials.
As a material that sits above the thermodynamic hull, this compound is considered metastable, which presents interesting challenges and opportunities for synthesis and structural characterization. With numerous reported structural variations, it remains a subject of interest for fundamental solid-state chemistry research.
Key Properties
Cross-validated computational properties for Ba2Cd1Ge1, 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 Ba2Cd1Ge1, 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 | 0.07 | 1.5044 | -1.304 | 0.41 |
| P4/mmm (No. 123) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Ba2Cd1Ge1, answered from cross-validated data.
What is Ba2Cd1Ge1?
Ba2Cd1Ge1 is a semimetallic ternary compound composed of barium, cadmium, and germanium that exhibits significant structural diversity.
What is the band gap of Ba2Cd1Ge1?
Is Ba2Cd1Ge1 a metal, semiconductor, or insulator?
Is Ba2Cd1Ge1 thermodynamically stable?
What is the crystal structure of Ba2Cd1Ge1?
What is the density of Ba2Cd1Ge1?
How many polymorphs of Ba2Cd1Ge1 are known?
What elements does Ba2Cd1Ge1 contain?
Where does the data for Ba2Cd1Ge1 come from?
How It Compares
As a unique ternary phase within the barium-cadmium-germanium system, Ba2Cd1Ge1 serves as a distinct example of how these elements can arrange into diverse structural motifs despite its metastable nature.
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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