BiBrCdSe2
BiBrCdSe2 is a metastable, semiconducting quaternary compound composed of bismuth, bromine, cadmium, and selenium.
About BiBrCdSe2
BiBrCdSe2 is a complex quaternary inorganic compound characterized by its semiconducting electronic nature. As a metastable material, it represents a specific structural arrangement of bismuth, bromine, cadmium, and selenium that requires precise synthesis conditions to stabilize.
This compound is of significant interest in materials research due to its composition, which bridges distinct chemical groups. Its role is primarily focused on fundamental studies of structure-property relationships in quaternary chalcogenide-halide systems.
Key Properties
Cross-validated computational properties for BiBrCdSe2, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of BiBrCdSe2. 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 BiBrCdSe2, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 1.39 | 0.0290 | -3.538 | 6.69 |
| — | — | — | — | — | 6.34 |
| — | — | — | — | — | 6.34 |
| No. 0 | unknown | — | — | — | 1.71 |
Applications
Where BiBrCdSe2 is used.
Frequently Asked Questions
Common questions about BiBrCdSe2, answered from cross-validated data.
What is BiBrCdSe2?
BiBrCdSe2 is a metastable, semiconducting quaternary compound composed of bismuth, bromine, cadmium, and selenium.
What is BiBrCdSe2 used for?
What is the band gap of BiBrCdSe2?
Is BiBrCdSe2 a metal, semiconductor, or insulator?
Is BiBrCdSe2 thermodynamically stable?
What is the crystal structure of BiBrCdSe2?
What is the density of BiBrCdSe2?
How many polymorphs of BiBrCdSe2 are known?
What elements does BiBrCdSe2 contain?
Where does the data for BiBrCdSe2 come from?
How It Compares
As a unique quaternary phase, BiBrCdSe2 occupies a specialized niche in materials science. Without direct structural siblings in its immediate class, it serves as an important reference point for understanding how the integration of heavy metal cations and halide anions influences the electronic behavior of complex semiconducting lattices.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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