BiCO3
BiCO3 is a metastable, semiconducting inorganic compound composed of bismuth, carbon, and oxygen.
About BiCO3
BiCO3 is a bismuth-based compound characterized by its semiconducting electronic nature. As a metastable material, it represents a complex structural arrangement within the bismuth-carbon-oxygen system, requiring specific synthetic conditions to stabilize its crystalline form.
Its existence is documented across multiple structural databases, highlighting its significance in fundamental materials science. Research into this compound focuses on understanding its electronic transitions and potential utility in specialized functional material applications.
Key Properties
Cross-validated computational properties for BiCO3, 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 BiCO3. 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 BiCO3, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 1.65 | 0.0491 | -1.318 | — |
| P-1 (No. 2) | triclinic | 1.41 | 0.0801 | -7.206 | 5.76 |
| P-1 (No. 2) | triclinic | — | — | — | 5.76 |
| P-1 (No. 2) | triclinic | — | — | — | 6.01 |
| P-1 (No. 2) | triclinic | — | — | — | 5.82 |
Applications
Where BiCO3 is used.
Frequently Asked Questions
Common questions about BiCO3, answered from cross-validated data.
What is BiCO3?
BiCO3 is a metastable, semiconducting inorganic compound composed of bismuth, carbon, and oxygen.
What is BiCO3 used for?
What is the band gap of BiCO3?
Is BiCO3 a metal, semiconductor, or insulator?
Is BiCO3 thermodynamically stable?
What is the crystal structure of BiCO3?
What is the density of BiCO3?
How many polymorphs of BiCO3 are known?
What elements does BiCO3 contain?
Where does the data for BiCO3 come from?
How It Compares
As a distinct bismuth-based inorganic compound, BiCO3 occupies a unique position in materials research. Without direct structural analogs in its immediate class, it serves as a critical subject for exploring the stability limits of bismuth-carbon-oxygen frameworks and their semiconducting potential.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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