BaCd
BaCd is a stable metallic intermetallic compound formed from the combination of barium and cadmium.
About BaCd
BaCd is a metallic intermetallic compound composed of barium and cadmium. As a thermodynamically stable phase located on the convex hull, it represents a robust structural configuration within its binary system. Its metallic nature suggests high electrical conductivity, making it an object of interest for fundamental solid-state physics studies.
With a significant number of reported structures across multiple databases, BaCd is a well-documented material in the field of inorganic chemistry. Its stability and structural diversity provide researchers with a valuable model for understanding bonding interactions between alkaline earth and transition metals.
Key Properties
Cross-validated computational properties for BaCd, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of BaCd. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for BaCd, 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 | 0.0000 | -1.749 | 5.39 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.36 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.13 |
| P21/c (No. 14) | Monoclinic | — | — | — | 4.21 |
| P21/c (No. 14) | Monoclinic | — | — | — | 3.56 |
| P21/c (No. 14) | Monoclinic | — | — | — | 3.26 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 2.86 |
| Cmme (No. 67) | Orthorhombic | — | — | — | 2.16 |
| Cmme (No. 67) | Orthorhombic | — | — | — | 1.99 |
| Pm-3m (No. 221) | — | — | — | — | — |
| P21/m (No. 11) | Monoclinic | — | — | — | 4.24 |
| P1 (No. 1) | Triclinic | — | — | — | 3.97 |
Applications
Where BaCd is used.
Frequently Asked Questions
Common questions about BaCd, answered from cross-validated data.
What is BaCd?
BaCd is a stable metallic intermetallic compound formed from the combination of barium and cadmium.
What is BaCd used for?
What is the band gap of BaCd?
Is BaCd a metal, semiconductor, or insulator?
Is BaCd thermodynamically stable?
What is the crystal structure of BaCd?
What is the density of BaCd?
How many polymorphs of BaCd are known?
What elements does BaCd contain?
Where does the data for BaCd come from?
How It Compares
As a thermodynamically stable binary intermetallic, BaCd serves as a foundational example of phase formation in systems involving heavy alkaline earth metals and group twelve elements. It occupies a distinct position in materials science as a stable, metallic compound that facilitates the study of structural evolution in complex binary alloys.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
Analyze BaCd in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →